HCID2777115

4-(4-Chlorobenzoyl)Piperidine

(4-chlorophenyl)-piperidin-4-ylmethanone

C12H14ClNO223.7 g/molCAS 53220-41-0

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IDENTITY

结构与身份

标准SMILES: O=C(c1ccc(Cl)cc1)C1CCNCC1
InChIKey: IYGWDOXHCPQXKN-UHFFFAOYSA-N
分子式: C12H14ClNO
平均分子量: 223.7 g/mol
单同位素质量: 223.0763918

COMPUTED

结构计算性质

已同步

XLogP: 2.3
极性表面积: 29.1 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 2
重原子: 15
形式电荷: 0
复杂度: 218

GHS

GHS分类

GHS Classification

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

HAZARDS

危害信息

Hazard Classes and Categories

Acute Tox. 4 (100%)；Eye Irrit. 2 (100%)

ALIASES

名称与别名

共 31 条

4-(4-Chlorobenzoyl)Piperidine53220-41-0DTXSID00380379RefChem:287918DTXCID80331405(4-Chlorophenyl)(piperidin-4-yl)methanone(4-chlorophenyl)-piperidin-4-ylmethanoneMFCD041135384-(4-Chlorobenzoyl)-piperidineMaybridge1_003174(4-chlorophenyl)-(4-piperidyl)methanoneOprea1_538079SCHEMBL654532SCHEMBL22971014-chlorophenyl 4-piperidyl ketoneIYGWDOXHCPQXKN-UHFFFAOYSA-NSBB067323AKOS000169237FC38415GS-3557

REACTIONS

相关反应

17 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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uspto-grants-2003_12 · 10.6084/m9.figshare.5104873.v1 · US06670379B2

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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uspto-grants-2015_11 · 10.6084/m9.figshare.5104873.v1 · US09181266B2

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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