2-amino-1-(4-benzylpiperidin-1-yl)-2-cyclopropylpropan-1-one

C18H26N2O — CID 60866270

IUPAC2-amino-1-(4-benzylpiperidin-1-yl)-2-cyclopropylpropan-1-one
SMILESCC(N)(C(=O)N1CCC(Cc2ccccc2)CC1)C1CC1
InChIInChI=1S/C18H26N2O/c1-18(19,16-7-8-16)17(21)20-11-9-15(10-12-20)13-14-5-3-2-4-6-14/h2-6,15-16H,7-13,19H2,1H3
InChIKeyGEBIDVSAMNFMCA-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.60
Rot. Bonds4

About 2-amino-1-(4-benzylpiperidin-1-yl)-2-cyclopropylpropan-1-one

2-amino-1-(4-benzylpiperidin-1-yl)-2-cyclopropylpropan-1-one (PubChem CID 60866270) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-amino-1-(4-benzylpiperidin-1-yl)-2-cyclopropylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-benzylpiperidin-1-yl)-2-cyclopropylpropan-1-one
PubChem CID60866270
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-amino-1-(4-benzylpiperidin-1-yl)-2-cyclopropylpropan-1-one
SMILESCC(N)(C(=O)N1CCC(Cc2ccccc2)CC1)C1CC1
InChIInChI=1S/C18H26N2O/c1-18(19,16-7-8-16)17(21)20-11-9-15(10-12-20)13-14-5-3-2-4-6-14/h2-6,15-16H,7-13,19H2,1H3
InChIKeyGEBIDVSAMNFMCA-UHFFFAOYSA-N
XLogP2.60
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(4-benzylpiperidin-1-yl)-2-methylpentan-1-one
CID 60847519
1-(4-benzylpiperidin-1-yl)-2,2-dimethyl-3-morpholin-4-ylpropane-1,3-dione
CID 108959874
2-amino-1-(4-benzylpiperidin-1-yl)-2-methylpentan-1-one;hydrochloride
CID 119671917
(2R)-2-amino-1-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 103928446
(2S)-2-amino-1-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-1-one;hydrochloride
CID 119671897
1-(4-benzylpiperidin-1-yl)-2-(ethylamino)-2-methylpropan-1-one
CID 62833273
N-benzyl-3-(4-benzylpiperidin-1-yl)-N,2,2-trimethyl-3-oxopropanamide
CID 108962285
2-amino-2-cyclopropyl-1-(4-propylpiperidin-1-yl)propan-1-one
CID 55050370
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
2-amino-1-(4-benzylpiperidin-1-yl)-3-methylbutan-1-one;hydrochloride
CID 119262390
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone
CID 127122886

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-benzylpiperidin-1-yl)-2-cyclopropylpropan-1-one?
The IUPAC name of 2-amino-1-(4-benzylpiperidin-1-yl)-2-cyclopropylpropan-1-one (CID 60866270) is 2-amino-1-(4-benzylpiperidin-1-yl)-2-cyclopropylpropan-1-one.
What is the SMILES notation for 2-amino-1-(4-benzylpiperidin-1-yl)-2-cyclopropylpropan-1-one?
The canonical SMILES for 2-amino-1-(4-benzylpiperidin-1-yl)-2-cyclopropylpropan-1-one is CC(N)(C(=O)N1CCC(Cc2ccccc2)CC1)C1CC1.
What is the InChIKey of 2-amino-1-(4-benzylpiperidin-1-yl)-2-cyclopropylpropan-1-one?
The InChIKey is GEBIDVSAMNFMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-18(19,16-7-8-16)17(21)20-11-9-15(10-12-20)13-14-5-3-2-4-6-14/h2-6,15-16H,7-13,19H2,1H3.
What are the key properties of 2-amino-1-(4-benzylpiperidin-1-yl)-2-cyclopropylpropan-1-one?
2-amino-1-(4-benzylpiperidin-1-yl)-2-cyclopropylpropan-1-one has a molecular weight of 286.42 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-benzylpiperidin-1-yl)-2-cyclopropylpropan-1-one is sourced from PubChem (CID 60866270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).