1-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)piperidin-3-amine

C17H27ClN2 — CID 83995651

IUPAC1-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)piperidin-3-amine
SMILESCC(C)CCNC1CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C17H27ClN2/c1-14(2)9-10-19-17-4-3-11-20(13-17)12-15-5-7-16(18)8-6-15/h5-8,14,17,19H,3-4,9-13H2,1-2H3
InChIKeyCYEWVSLZGKUQOU-UHFFFAOYSA-N
MW294.87 g/mol
LogP3.94
Rot. Bonds6

About 1-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)piperidin-3-amine

1-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)piperidin-3-amine (PubChem CID 83995651) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)piperidin-3-amine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)piperidin-3-amine
PubChem CID83995651
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name1-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)piperidin-3-amine
SMILESCC(C)CCNC1CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C17H27ClN2/c1-14(2)9-10-19-17-4-3-11-20(13-17)12-15-5-7-16(18)8-6-15/h5-8,14,17,19H,3-4,9-13H2,1-2H3
InChIKeyCYEWVSLZGKUQOU-UHFFFAOYSA-N
XLogP3.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-chlorophenyl)methyl]-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992190
(3R)-1-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)piperidine-3-carboxamide
CID 92851220
3-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]amino]-2,2-dimethylpropan-1-ol
CID 45216821
1-[(1-benzylpiperidin-3-yl)amino]pentan-3-ol
CID 115729123
[1-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]amino]-4-methyl-1-oxopentan-2-yl]phosphonic acid
CID 170164675
1-benzyl-N-(2-fluoroethyl)piperidin-3-amine
CID 80695683
methyl 2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]acetate
CID 83982541
1-benzyl-N-(2-methylsulfinylpropyl)piperidin-3-amine
CID 115896173
1-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]butan-1-amine
CID 83982545
1-benzyl-N-(2-methylsulfanylpropyl)piperidin-3-amine
CID 115895502
3-[(1-benzylpiperidin-3-yl)amino]-2-methylpropan-1-ol
CID 65032022
N-[2-[(1-benzylpiperidin-3-yl)amino]ethyl]acetamide
CID 43145152

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)piperidin-3-amine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)piperidin-3-amine (CID 83995651) is 1-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)piperidin-3-amine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)piperidin-3-amine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)piperidin-3-amine is CC(C)CCNC1CCCN(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)piperidin-3-amine?
The InChIKey is CYEWVSLZGKUQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-14(2)9-10-19-17-4-3-11-20(13-17)12-15-5-7-16(18)8-6-15/h5-8,14,17,19H,3-4,9-13H2,1-2H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)piperidin-3-amine?
1-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)piperidin-3-amine has a molecular weight of 294.87 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)piperidin-3-amine is sourced from PubChem (CID 83995651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).