1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-amine

C18H28N2 — CID 175660899

IUPAC1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-amine
SMILESCc1ccc(C2(CN3CCC(N)CC3)CCCC2)cc1
InChIInChI=1S/C18H28N2/c1-15-4-6-16(7-5-15)18(10-2-3-11-18)14-20-12-8-17(19)9-13-20/h4-7,17H,2-3,8-14,19H2,1H3
InChIKeyGOVORLCQVDFNJU-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.23
Rot. Bonds3

About 1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-amine

1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-amine (PubChem CID 175660899) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-amine
PubChem CID175660899
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-amine
SMILESCc1ccc(C2(CN3CCC(N)CC3)CCCC2)cc1
InChIInChI=1S/C18H28N2/c1-15-4-6-16(7-5-15)18(10-2-3-11-18)14-20-12-8-17(19)9-13-20/h4-7,17H,2-3,8-14,19H2,1H3
InChIKeyGOVORLCQVDFNJU-UHFFFAOYSA-N
XLogP3.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-amine?
The IUPAC name of 1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-amine (CID 175660899) is 1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-amine?
The canonical SMILES for 1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-amine is Cc1ccc(C2(CN3CCC(N)CC3)CCCC2)cc1.
What is the InChIKey of 1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-amine?
The InChIKey is GOVORLCQVDFNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-15-4-6-16(7-5-15)18(10-2-3-11-18)14-20-12-8-17(19)9-13-20/h4-7,17H,2-3,8-14,19H2,1H3.
What are the key properties of 1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-amine?
1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-amine has a molecular weight of 272.44 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-amine is sourced from PubChem (CID 175660899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).