1-[[(1-benzylpiperidin-3-yl)amino]methyl]cyclopentan-1-ol

C18H28N2O — CID 65105573

IUPAC1-[[(1-benzylpiperidin-3-yl)amino]methyl]cyclopentan-1-ol
SMILESOC1(CNC2CCCN(Cc3ccccc3)C2)CCCC1
InChIInChI=1S/C18H28N2O/c21-18(10-4-5-11-18)15-19-17-9-6-12-20(14-17)13-16-7-2-1-3-8-16/h1-3,7-8,17,19,21H,4-6,9-15H2
InChIKeyWCNZSEMDWCGXBZ-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.55
Rot. Bonds5

About 1-[[(1-benzylpiperidin-3-yl)amino]methyl]cyclopentan-1-ol

1-[[(1-benzylpiperidin-3-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 65105573) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-[[(1-benzylpiperidin-3-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(1-benzylpiperidin-3-yl)amino]methyl]cyclopentan-1-ol
PubChem CID65105573
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name1-[[(1-benzylpiperidin-3-yl)amino]methyl]cyclopentan-1-ol
SMILESOC1(CNC2CCCN(Cc3ccccc3)C2)CCCC1
InChIInChI=1S/C18H28N2O/c21-18(10-4-5-11-18)15-19-17-9-6-12-20(14-17)13-16-7-2-1-3-8-16/h1-3,7-8,17,19,21H,4-6,9-15H2
InChIKeyWCNZSEMDWCGXBZ-UHFFFAOYSA-N
XLogP2.55
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(1-benzylpiperidin-3-yl)amino]methyl]oxolan-3-ol
CID 103904817
(3R)-3-[[[(3R)-1-benzylpyrrolidin-3-yl]amino]methyl]thiolan-3-ol
CID 97055622
2-[[(3S)-1-benzylpiperidin-3-yl]amino]acetic acid
CID 66564975
1-benzyl-N-(2-fluoroethyl)piperidin-3-amine
CID 80695683
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
3-[(1-benzylpiperidin-3-yl)amino]propane-1,2-diol
CID 66177195
1-benzyl-N-[(1-ethylcyclobutyl)methyl]pyrrolidin-3-amine
CID 103748632
1-[[(1-benzylpiperidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 113309373
1-benzyl-N-(2-methylidenebutyl)piperidin-3-amine
CID 66044031
N-[2-[(1-benzylpiperidin-3-yl)amino]ethyl]acetamide
CID 43145152
3-[(1-benzylpiperidin-3-yl)amino]-2-methylpropan-1-ol
CID 65032022
1-benzyl-N-(2,2-dimethylcyclopentyl)piperidin-3-amine
CID 79865795

Frequently Asked Questions

What is the IUPAC name of 1-[[(1-benzylpiperidin-3-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(1-benzylpiperidin-3-yl)amino]methyl]cyclopentan-1-ol (CID 65105573) is 1-[[(1-benzylpiperidin-3-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(1-benzylpiperidin-3-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(1-benzylpiperidin-3-yl)amino]methyl]cyclopentan-1-ol is OC1(CNC2CCCN(Cc3ccccc3)C2)CCCC1.
What is the InChIKey of 1-[[(1-benzylpiperidin-3-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is WCNZSEMDWCGXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c21-18(10-4-5-11-18)15-19-17-9-6-12-20(14-17)13-16-7-2-1-3-8-16/h1-3,7-8,17,19,21H,4-6,9-15H2.
What are the key properties of 1-[[(1-benzylpiperidin-3-yl)amino]methyl]cyclopentan-1-ol?
1-[[(1-benzylpiperidin-3-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 288.43 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1-benzylpiperidin-3-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 65105573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).