1-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethanone

C17H24N2O — CID 77144981

IUPAC1-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CNC2CC2c2ccccc2)CC1
InChIInChI=1S/C17H24N2O/c1-13(20)19-9-7-14(8-10-19)12-18-17-11-16(17)15-5-3-2-4-6-15/h2-6,14,16-18H,7-12H2,1H3
InChIKeyCXYANFPASJSOHM-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.39
Rot. Bonds4

About 1-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethanone

1-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethanone (PubChem CID 77144981) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethanone
PubChem CID77144981
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CNC2CC2c2ccccc2)CC1
InChIInChI=1S/C17H24N2O/c1-13(20)19-9-7-14(8-10-19)12-18-17-11-16(17)15-5-3-2-4-6-15/h2-6,14,16-18H,7-12H2,1H3
InChIKeyCXYANFPASJSOHM-UHFFFAOYSA-N
XLogP2.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 4-[[[(2R)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
CID 138722566
tert-butyl 4-[[[(1S)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
CID 70810888
3-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propanoic acid
CID 66571126
N-hydroxy-4-[3-oxo-3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]prop-1-enyl]benzamide
CID 155143234
N-[4-[(1S,2R)-2-[(1-methylpiperidin-4-yl)methylamino]cyclopropyl]phenyl]benzamide
CID 70810946
methyl 3-(cyanomethyl)-3-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]azetidine-1-carboxylate
CID 118292371
3-(cyanomethyl)-3-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]azetidine-1-carboxylic acid
CID 139450713
[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-(4-fluoropiperidin-1-yl)methanone
CID 171343910
tert-butyl N-[4-[[(2-phenylcyclopropyl)amino]methyl]cyclohexyl]carbamate
CID 77144961
trans-(1R,2S)-2-phenyl-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]cyclopropan-1-amine
CID 66571066
N-hydroxy-4-[3-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide
CID 162640822
N-[2-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethylsulfamoylmethyl]benzamide
CID 174937674

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethanone (CID 77144981) is 1-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(CNC2CC2c2ccccc2)CC1.
What is the InChIKey of 1-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethanone?
The InChIKey is CXYANFPASJSOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13(20)19-9-7-14(8-10-19)12-18-17-11-16(17)15-5-3-2-4-6-15/h2-6,14,16-18H,7-12H2,1H3.
What are the key properties of 1-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethanone?
1-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethanone has a molecular weight of 272.39 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 77144981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).