2-(3-ethylpiperidin-1-yl)-N,3-dimethyl-1-phenylbutan-1-amine

C19H32N2 — CID 63467927

IUPAC2-(3-ethylpiperidin-1-yl)-N,3-dimethyl-1-phenylbutan-1-amine
SMILESCCC1CCCN(C(C(C)C)C(NC)c2ccccc2)C1
InChIInChI=1S/C19H32N2/c1-5-16-10-9-13-21(14-16)19(15(2)3)18(20-4)17-11-7-6-8-12-17/h6-8,11-12,15-16,18-20H,5,9-10,13-14H2,1-4H3
InChIKeyQJVBQUNFVCLSTC-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.09
Rot. Bonds6

About 2-(3-ethylpiperidin-1-yl)-N,3-dimethyl-1-phenylbutan-1-amine

2-(3-ethylpiperidin-1-yl)-N,3-dimethyl-1-phenylbutan-1-amine (PubChem CID 63467927) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-(3-ethylpiperidin-1-yl)-N,3-dimethyl-1-phenylbutan-1-amine.

Molecular Properties

Compound Name2-(3-ethylpiperidin-1-yl)-N,3-dimethyl-1-phenylbutan-1-amine
PubChem CID63467927
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name2-(3-ethylpiperidin-1-yl)-N,3-dimethyl-1-phenylbutan-1-amine
SMILESCCC1CCCN(C(C(C)C)C(NC)c2ccccc2)C1
InChIInChI=1S/C19H32N2/c1-5-16-10-9-13-21(14-16)19(15(2)3)18(20-4)17-11-7-6-8-12-17/h6-8,11-12,15-16,18-20H,5,9-10,13-14H2,1-4H3
InChIKeyQJVBQUNFVCLSTC-UHFFFAOYSA-N
XLogP4.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzhydryl-3-ethylpiperidine
CID 22970041
N-methyl-1-[1-(1-phenylethyl)piperidin-3-yl]methanamine;hydrochloride
CID 119914413
2-(azepan-1-yl)-N-ethyl-3-methyl-1-phenylbutan-1-amine
CID 63466911
2-(3-ethylpyrrolidin-1-yl)-N-methyl-2-phenylethanamine
CID 113419035
N-methyl-1-[1-(1-phenylbutyl)piperidin-3-yl]methanamine
CID 61206343
3-[3-(methoxymethyl)piperidin-1-yl]-N,2-dimethyl-1-phenylpropan-1-amine
CID 106589070
N-[(4-ethylcyclohexyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 63451644
4-ethyl-N-(2-methyl-1-phenylpropyl)cycloheptan-1-amine
CID 65083894
(3S)-1-[(1R)-1-(2,6-difluorophenyl)ethyl]-3-ethylpiperidine
CID 98764853
1-(3-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-2-amine
CID 55020487
N,N-diethyl-1-[1-(methylamino)-1-phenylpropan-2-yl]pyrrolidin-3-amine
CID 63169857
4-cyclohexyl-N-methyl-1,2-diphenylbutan-1-amine
CID 54362635

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylpiperidin-1-yl)-N,3-dimethyl-1-phenylbutan-1-amine?
The IUPAC name of 2-(3-ethylpiperidin-1-yl)-N,3-dimethyl-1-phenylbutan-1-amine (CID 63467927) is 2-(3-ethylpiperidin-1-yl)-N,3-dimethyl-1-phenylbutan-1-amine.
What is the SMILES notation for 2-(3-ethylpiperidin-1-yl)-N,3-dimethyl-1-phenylbutan-1-amine?
The canonical SMILES for 2-(3-ethylpiperidin-1-yl)-N,3-dimethyl-1-phenylbutan-1-amine is CCC1CCCN(C(C(C)C)C(NC)c2ccccc2)C1.
What is the InChIKey of 2-(3-ethylpiperidin-1-yl)-N,3-dimethyl-1-phenylbutan-1-amine?
The InChIKey is QJVBQUNFVCLSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-16-10-9-13-21(14-16)19(15(2)3)18(20-4)17-11-7-6-8-12-17/h6-8,11-12,15-16,18-20H,5,9-10,13-14H2,1-4H3.
What are the key properties of 2-(3-ethylpiperidin-1-yl)-N,3-dimethyl-1-phenylbutan-1-amine?
2-(3-ethylpiperidin-1-yl)-N,3-dimethyl-1-phenylbutan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylpiperidin-1-yl)-N,3-dimethyl-1-phenylbutan-1-amine is sourced from PubChem (CID 63467927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).