[1-(4-benzylpiperidin-1-yl)-3-methylcyclopentyl]methanamine

C19H30N2 — CID 64500748

IUPAC[1-(4-benzylpiperidin-1-yl)-3-methylcyclopentyl]methanamine
SMILESCC1CCC(CN)(N2CCC(Cc3ccccc3)CC2)C1
InChIInChI=1S/C19H30N2/c1-16-7-10-19(14-16,15-20)21-11-8-18(9-12-21)13-17-5-3-2-4-6-17/h2-6,16,18H,7-15,20H2,1H3
InChIKeySPDCXJAUULWWNP-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.46
Rot. Bonds4

About [1-(4-benzylpiperidin-1-yl)-3-methylcyclopentyl]methanamine

[1-(4-benzylpiperidin-1-yl)-3-methylcyclopentyl]methanamine (PubChem CID 64500748) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is [1-(4-benzylpiperidin-1-yl)-3-methylcyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(4-benzylpiperidin-1-yl)-3-methylcyclopentyl]methanamine
PubChem CID64500748
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name[1-(4-benzylpiperidin-1-yl)-3-methylcyclopentyl]methanamine
SMILESCC1CCC(CN)(N2CCC(Cc3ccccc3)CC2)C1
InChIInChI=1S/C19H30N2/c1-16-7-10-19(14-16,15-20)21-11-8-18(9-12-21)13-17-5-3-2-4-6-17/h2-6,16,18H,7-15,20H2,1H3
InChIKeySPDCXJAUULWWNP-UHFFFAOYSA-N
XLogP3.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(4-benzylpiperidin-1-yl)thiolan-3-yl]methanamine
CID 43346333
4-benzyl-1-(3-methyl-1-phenylcyclohexyl)piperidine
CID 10043314
[1-(4,4-dimethylpiperidin-1-yl)-3-methylcyclopentyl]methanamine
CID 64500940
[1-(azocan-1-yl)-3-methylcyclopentyl]methanamine
CID 64501768
[1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylcyclopentyl]methanamine
CID 64500314
[3-methyl-1-(4-piperidin-1-ylpiperidin-1-yl)cyclopentyl]methanamine
CID 64501577
[1-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylcyclopentyl]methanamine
CID 64500520
2-(4-benzylpiperidin-1-yl)propan-1-amine
CID 16642433
[1-(2,3-dihydroindol-1-yl)-3-methylcyclopentyl]methanamine
CID 64501563
4-benzyl-1-propan-2-ylpiperidine
CID 22959492
1-(aminomethyl)-4-benzyl-N,N-dimethylcyclohexan-1-amine
CID 20527639
4-benzyl-1-methylpiperidine;ethane
CID 142009767

Frequently Asked Questions

What is the IUPAC name of [1-(4-benzylpiperidin-1-yl)-3-methylcyclopentyl]methanamine?
The IUPAC name of [1-(4-benzylpiperidin-1-yl)-3-methylcyclopentyl]methanamine (CID 64500748) is [1-(4-benzylpiperidin-1-yl)-3-methylcyclopentyl]methanamine.
What is the SMILES notation for [1-(4-benzylpiperidin-1-yl)-3-methylcyclopentyl]methanamine?
The canonical SMILES for [1-(4-benzylpiperidin-1-yl)-3-methylcyclopentyl]methanamine is CC1CCC(CN)(N2CCC(Cc3ccccc3)CC2)C1.
What is the InChIKey of [1-(4-benzylpiperidin-1-yl)-3-methylcyclopentyl]methanamine?
The InChIKey is SPDCXJAUULWWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-16-7-10-19(14-16,15-20)21-11-8-18(9-12-21)13-17-5-3-2-4-6-17/h2-6,16,18H,7-15,20H2,1H3.
What are the key properties of [1-(4-benzylpiperidin-1-yl)-3-methylcyclopentyl]methanamine?
[1-(4-benzylpiperidin-1-yl)-3-methylcyclopentyl]methanamine has a molecular weight of 286.46 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-benzylpiperidin-1-yl)-3-methylcyclopentyl]methanamine is sourced from PubChem (CID 64500748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).