1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pentan-3-amine

C17H27ClN2 — CID 83983242

IUPAC1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pentan-3-amine
SMILESCCC(N)CCC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H27ClN2/c1-2-17(19)8-5-14-9-11-20(12-10-14)13-15-3-6-16(18)7-4-15/h3-4,6-7,14,17H,2,5,8-13,19H2,1H3
InChIKeyAGGQHWPPNJBWQT-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.07
Rot. Bonds6

About 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pentan-3-amine

1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pentan-3-amine (PubChem CID 83983242) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pentan-3-amine.

Molecular Properties

Compound Name1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pentan-3-amine
PubChem CID83983242
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pentan-3-amine
SMILESCCC(N)CCC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H27ClN2/c1-2-17(19)8-5-14-9-11-20(12-10-14)13-15-3-6-16(18)7-4-15/h3-4,6-7,14,17H,2,5,8-13,19H2,1H3
InChIKeyAGGQHWPPNJBWQT-UHFFFAOYSA-N
XLogP4.07
TPSA29.26 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 ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanamine
CID 63596526
1-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 83980773
3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine
CID 83983238
2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]butanoic acid
CID 83983234
2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 17221513
3-(2-chloroethyl)-1-[(4-chlorophenyl)methyl]pyrrolidine
CID 114800668
2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetic acid
CID 83983228
1-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]butan-1-amine
CID 83982545
N-[[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62512740
2-[1-[(3-chloro-4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 106817832
1-[1-(4-chlorophenyl)pyrrolidin-3-yl]butan-2-amine
CID 83981425
1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]butan-2-amine
CID 83983420

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pentan-3-amine?
The IUPAC name of 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pentan-3-amine (CID 83983242) is 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pentan-3-amine.
What is the SMILES notation for 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pentan-3-amine?
The canonical SMILES for 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pentan-3-amine is CCC(N)CCC1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pentan-3-amine?
The InChIKey is AGGQHWPPNJBWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-2-17(19)8-5-14-9-11-20(12-10-14)13-15-3-6-16(18)7-4-15/h3-4,6-7,14,17H,2,5,8-13,19H2,1H3.
What are the key properties of 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pentan-3-amine?
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pentan-3-amine has a molecular weight of 294.87 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pentan-3-amine is sourced from PubChem (CID 83983242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).