1-N-CBZ-ピペリジン-4-イルオキシ)酢酸

2-((1-((Benzyloxy)carbonyl)piperidin-4-YL)oxy)acetic acid

HCID 18919494

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 162504-85-0
標準SMILES: O=C(O)COC1CCN(C(=O)OCc2ccccc2)CC1
InChIKey: WMFVDLNUEFUSES-UHFFFAOYSA-N
分子式: C15H19NO5
平均分子量: 293.31 g/mol
単同位体質量: 293.12632271

名称と識別子

優先名称: 2-((1-((Benzyloxy)carbonyl)piperidin-4-YL)oxy)acetic acid
IUPAC: 2-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyacetic acid
現地名: 1-N-CBZ-ピペリジン-4-イルオキシ)酢酸
英語名: 1-N-Cbz-piperidin-4-yloxy)acetic acid
分子式: C15H19NO5
分子量: 293.32

名称と別名

162504-85-02-((1-((BENZYLOXY)CARBONYL)PIPERIDIN-4-YL)OXY)ACETIC ACID2-(1-cbz-piperidin-4-yloxy)-acetic acid4-carboxymethoxy-piperidine-1-carboxylic acid benzyl ester1-N-Cbz-piperidin-4-yloxy)acetic acidMFCD021789892-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyacetic acid(1-Cbz-4-piperidinyloxy)acetic acid2-((1-((Benzyloxy)carbonyl)piperidin-4-yl)oxy)aceticacid2-({1-[(benzyloxy)carbonyl]piperidin-4-yl}oxy)acetic acid1-PIPERIDINECARBOXYLIC ACID, 4-(CARBOXYMETHOXY)-, 1-(PHENYLMETHYL) ESTER({1-[(Benzyloxy)carbonyl]piperidin-4-yl}oxy)acetic acid

名称をさらに表示

1-N-CBZ-ピペリジン-4-イルオキシ)酢酸2-[(1-phenylmethoxycarbonyl-4-piperidinyl)oxy]acetic acid

4-Carboxymethoxypiperidine-1-carboxylic acid benzyl ester[N-benzyloxycarbonyl-4-piperidinyloxy]acetic acidSCHEMBL77520DTXSID20596475n-cbz-4-carboxymethoxy-piperidineWMFVDLNUEFUSES-UHFFFAOYSA-NAKOS013184207AB10971

データベース識別子

CAS: 162504-85-0
PubChem CID: 18919494
DTXSID: DTXSID20596475
EC Number: 675-709-7

物性

構造計算による物性

XLogP: 1.6
極性表面積: 76.1 Å²
水素結合供与体数: 1
水素結合受容体数: 5
回転可能結合数: 6
重原子数: 21
形式電荷: 0
複雑度: 346

物理化学的性質

沸点: 493.8 · 493.8±45.0 °C(Predicted)
比重(密度): 1.27 · 1.27±0.1 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 3.42 · 3.42±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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.