1-(Cyclopropylmethyl)piperidin-4-one

HCID 18002181CAS 49682-96-4

Substructure search Find similar structures

Basic information

Standard SMILES: O=C1CCN(CC2CC2)CC1
InChIKey: WEGGUCATBXAQDP-UHFFFAOYSA-N
Molecular formula: C9H15NO
Average molar mass: 153.22 g/mol
Monoisotopic mass: 153.1153641

Names & identifiers

Preferred name: 1-(Cyclopropylmethyl)piperidin-4-one
IUPAC: 1-(cyclopropylmethyl)piperidin-4-one
English name: 1-(cyclopropylmethyl)piperidin-4-one
Molecular formula: C9H15NO
Molecular weight: 153.22

Names & synonyms

1-(cyclopropylmethyl)piperidin-4-one49682-96-4DTXSID90592404RefChem:226442DTXCID40543168971-957-8MFCD099378581-(Cyclopropylmethyl)-4-piperidone1-(Cyclopropylmethyl)-4-piperidinone4-Piperidinone, 1-(cyclopropylmethyl)-SCHEMBL1817532WEGGUCATBXAQDP-UHFFFAOYSA-N

Show more names

1-(Cyclopropylmethyl)1-(Cyclopropylmethyl)piperidin-4-one - [C93742]

ZBA682961-Cyclopropylmethyl-piperidin-4-oneAKOS000180279SB41357AS-82979SY107911CS-0113144EN300-53191

Database identifiers

CAS: 49682-96-4
PubChem CID: 18002181
DTXSID: DTXSID90592404
EC Number: 971-957-8

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 153

Physicochemical properties

Boiling point: 252.7 · 252.7±15.0 °C(Predicted)
Density: 1.087 · 1.087±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 7.94 · 7.94±0.20(Predicted)
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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.