1-(4-chlorophenyl)-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine

C17H27ClN2 — CID 63456110

IUPAC1-(4-chlorophenyl)-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine
SMILESCCCC(NCC1CCCCN1C)c1ccc(Cl)cc1
InChIInChI=1S/C17H27ClN2/c1-3-6-17(14-8-10-15(18)11-9-14)19-13-16-7-4-5-12-20(16)2/h8-11,16-17,19H,3-7,12-13H2,1-2H3
InChIKeyLAZNQUGESVNVMQ-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.26
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine

1-(4-chlorophenyl)-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine (PubChem CID 63456110) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine
PubChem CID63456110
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name1-(4-chlorophenyl)-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine
SMILESCCCC(NCC1CCCCN1C)c1ccc(Cl)cc1
InChIInChI=1S/C17H27ClN2/c1-3-6-17(14-8-10-15(18)11-9-14)19-13-16-7-4-5-12-20(16)2/h8-11,16-17,19H,3-7,12-13H2,1-2H3
InChIKeyLAZNQUGESVNVMQ-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]butan-1-amine
CID 60857570
N-[(1-methylpiperidin-2-yl)methyl]-1-phenylhexan-1-amine
CID 63455775
1-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)butan-1-amine
CID 63454308
1-(4-chlorophenyl)-N-(oxan-2-ylmethyl)butan-1-amine
CID 55014326
1-(4-chlorophenyl)-N-[(4-ethylcyclohexyl)methyl]butan-1-amine
CID 63451823
1-(4-chlorophenyl)-N-(2-cyclopentylethyl)butan-1-amine
CID 63450134
1-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine
CID 63454919
(1R)-1-(4-methylphenyl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine
CID 81349160
1-(4-chlorophenyl)-N-(thiolan-3-ylmethyl)butan-1-amine
CID 107166601
1-(4-chlorophenyl)-N-[(1S)-1-cyclopentylethyl]butan-1-amine
CID 81386564
[1-[3-(4-chlorophenyl)-3-(methylamino)propyl]piperidin-2-yl]methanol
CID 62642989
N-ethyl-2-(1-methylpiperidin-2-yl)-1-phenylethanamine
CID 57173334

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine (CID 63456110) is 1-(4-chlorophenyl)-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine is CCCC(NCC1CCCCN1C)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine?
The InChIKey is LAZNQUGESVNVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-3-6-17(14-8-10-15(18)11-9-14)19-13-16-7-4-5-12-20(16)2/h8-11,16-17,19H,3-7,12-13H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine?
1-(4-chlorophenyl)-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine has a molecular weight of 294.87 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine is sourced from PubChem (CID 63456110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).