[2-[(1-benzylpiperidin-4-yl)amino]-1-methylcyclopentyl]methanol

C19H30N2O — CID 111468841

IUPAC[2-[(1-benzylpiperidin-4-yl)amino]-1-methylcyclopentyl]methanol
SMILESCC1(CO)CCCC1NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H30N2O/c1-19(15-22)11-5-8-18(19)20-17-9-12-21(13-10-17)14-16-6-3-2-4-7-16/h2-4,6-7,17-18,20,22H,5,8-15H2,1H3
InChIKeyBNMZHRCRVOTHHV-UHFFFAOYSA-N
MW302.46 g/mol
LogP2.79
Rot. Bonds5

About [2-[(1-benzylpiperidin-4-yl)amino]-1-methylcyclopentyl]methanol

[2-[(1-benzylpiperidin-4-yl)amino]-1-methylcyclopentyl]methanol (PubChem CID 111468841) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is [2-[(1-benzylpiperidin-4-yl)amino]-1-methylcyclopentyl]methanol.

Molecular Properties

Compound Name[2-[(1-benzylpiperidin-4-yl)amino]-1-methylcyclopentyl]methanol
PubChem CID111468841
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name[2-[(1-benzylpiperidin-4-yl)amino]-1-methylcyclopentyl]methanol
SMILESCC1(CO)CCCC1NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H30N2O/c1-19(15-22)11-5-8-18(19)20-17-9-12-21(13-10-17)14-16-6-3-2-4-7-16/h2-4,6-7,17-18,20,22H,5,8-15H2,1H3
InChIKeyBNMZHRCRVOTHHV-UHFFFAOYSA-N
XLogP2.79
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-(2,2-dimethylcyclopentyl)piperidin-3-amine
CID 79865795
1-benzyl-N-[(1-methylcyclopentyl)methyl]piperidin-4-amine
CID 63821124
1-benzyl-N-[(1-methylcyclopropyl)methyl]piperidin-4-amine
CID 103724488
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
1-benzyl-N-(2-methylcyclopropyl)piperidin-4-amine
CID 62396493
1-benzyl-N-[(1-ethylcyclobutyl)methyl]piperidin-4-amine
CID 103741195
1-benzyl-N-[(1-ethylcyclopropyl)methyl]piperidin-4-amine
CID 103735414
4-[(1-benzylpiperidin-4-yl)amino]-1-phenylcyclohexane-1-carbonitrile
CID 4792426
1-(1-benzylpiperidin-4-yl)-3-(1-methylcyclobutyl)urea
CID 136517668
N-(1-benzylpyrrolidin-3-yl)-1-ethylpiperidin-4-amine
CID 43223634
1-benzyl-N-[1-(1-methylcyclopropyl)ethyl]piperidin-4-amine
CID 43363145
(1R)-N-(1-benzylpiperidin-4-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide
CID 2712549

Frequently Asked Questions

What is the IUPAC name of [2-[(1-benzylpiperidin-4-yl)amino]-1-methylcyclopentyl]methanol?
The IUPAC name of [2-[(1-benzylpiperidin-4-yl)amino]-1-methylcyclopentyl]methanol (CID 111468841) is [2-[(1-benzylpiperidin-4-yl)amino]-1-methylcyclopentyl]methanol.
What is the SMILES notation for [2-[(1-benzylpiperidin-4-yl)amino]-1-methylcyclopentyl]methanol?
The canonical SMILES for [2-[(1-benzylpiperidin-4-yl)amino]-1-methylcyclopentyl]methanol is CC1(CO)CCCC1NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of [2-[(1-benzylpiperidin-4-yl)amino]-1-methylcyclopentyl]methanol?
The InChIKey is BNMZHRCRVOTHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-19(15-22)11-5-8-18(19)20-17-9-12-21(13-10-17)14-16-6-3-2-4-7-16/h2-4,6-7,17-18,20,22H,5,8-15H2,1H3.
What are the key properties of [2-[(1-benzylpiperidin-4-yl)amino]-1-methylcyclopentyl]methanol?
[2-[(1-benzylpiperidin-4-yl)amino]-1-methylcyclopentyl]methanol has a molecular weight of 302.46 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-benzylpiperidin-4-yl)amino]-1-methylcyclopentyl]methanol is sourced from PubChem (CID 111468841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).