2-(aminomethyl)-1-(4-phenylpiperidin-1-yl)pentan-1-one

C17H26N2O — CID 65229548

IUPAC2-(aminomethyl)-1-(4-phenylpiperidin-1-yl)pentan-1-one
SMILESCCCC(CN)C(=O)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H26N2O/c1-2-6-16(13-18)17(20)19-11-9-15(10-12-19)14-7-4-3-5-8-14/h3-5,7-8,15-16H,2,6,9-13,18H2,1H3
InChIKeyLNJUVDJYYQCNLR-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.77
Rot. Bonds5

About 2-(aminomethyl)-1-(4-phenylpiperidin-1-yl)pentan-1-one

2-(aminomethyl)-1-(4-phenylpiperidin-1-yl)pentan-1-one (PubChem CID 65229548) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(4-phenylpiperidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-1-(4-phenylpiperidin-1-yl)pentan-1-one
PubChem CID65229548
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(aminomethyl)-1-(4-phenylpiperidin-1-yl)pentan-1-one
SMILESCCCC(CN)C(=O)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H26N2O/c1-2-6-16(13-18)17(20)19-11-9-15(10-12-19)14-7-4-3-5-8-14/h3-5,7-8,15-16H,2,6,9-13,18H2,1H3
InChIKeyLNJUVDJYYQCNLR-UHFFFAOYSA-N
XLogP2.77
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(4-phenylazepan-1-yl)pentan-1-one
CID 119316138
(2S)-2-amino-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 79024088
2-(aminomethyl)-1-(2-phenylpyrrolidin-1-yl)pentan-1-one
CID 65226010
2-(aminomethyl)-N-(4-phenylcyclohexyl)pentanamide
CID 65225560
(2S)-2-amino-1-(3-phenylpyrrolidin-1-yl)butan-1-one
CID 79023414
2-(aminomethyl)-1-[4-(1-hydroxyethyl)piperidin-1-yl]pentan-1-one
CID 106835724
(2S)-2-amino-3-methyl-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 61165041
2-(aminomethyl)-1-(4-methylazepan-1-yl)pentan-1-one
CID 63622647
2-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120984914
2-amino-2-phenyl-1-(4-phenylpiperidin-1-yl)ethanone
CID 119278410
2,2-diethyl-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 13249816
(3S)-1-[2-(aminomethyl)pentanoyl]piperidine-3-carboxylic acid
CID 81126128

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(4-phenylpiperidin-1-yl)pentan-1-one?
The IUPAC name of 2-(aminomethyl)-1-(4-phenylpiperidin-1-yl)pentan-1-one (CID 65229548) is 2-(aminomethyl)-1-(4-phenylpiperidin-1-yl)pentan-1-one.
What is the SMILES notation for 2-(aminomethyl)-1-(4-phenylpiperidin-1-yl)pentan-1-one?
The canonical SMILES for 2-(aminomethyl)-1-(4-phenylpiperidin-1-yl)pentan-1-one is CCCC(CN)C(=O)N1CCC(c2ccccc2)CC1.
What is the InChIKey of 2-(aminomethyl)-1-(4-phenylpiperidin-1-yl)pentan-1-one?
The InChIKey is LNJUVDJYYQCNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-6-16(13-18)17(20)19-11-9-15(10-12-19)14-7-4-3-5-8-14/h3-5,7-8,15-16H,2,6,9-13,18H2,1H3.
What are the key properties of 2-(aminomethyl)-1-(4-phenylpiperidin-1-yl)pentan-1-one?
2-(aminomethyl)-1-(4-phenylpiperidin-1-yl)pentan-1-one has a molecular weight of 274.41 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(4-phenylpiperidin-1-yl)pentan-1-one is sourced from PubChem (CID 65229548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).