2-[(4-benzylpiperidin-1-yl)methyl]cyclohexan-1-ol

C19H29NO — CID 62610935

IUPAC2-[(4-benzylpiperidin-1-yl)methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H29NO/c21-19-9-5-4-8-18(19)15-20-12-10-17(11-13-20)14-16-6-2-1-3-7-16/h1-3,6-7,17-19,21H,4-5,8-15H2
InChIKeyIBKNTUOEZIFADV-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.49
Rot. Bonds4

About 2-[(4-benzylpiperidin-1-yl)methyl]cyclohexan-1-ol

2-[(4-benzylpiperidin-1-yl)methyl]cyclohexan-1-ol (PubChem CID 62610935) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-[(4-benzylpiperidin-1-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(4-benzylpiperidin-1-yl)methyl]cyclohexan-1-ol
PubChem CID62610935
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name2-[(4-benzylpiperidin-1-yl)methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H29NO/c21-19-9-5-4-8-18(19)15-20-12-10-17(11-13-20)14-16-6-2-1-3-7-16/h1-3,6-7,17-19,21H,4-5,8-15H2
InChIKeyIBKNTUOEZIFADV-UHFFFAOYSA-N
XLogP3.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-benzylpiperidin-1-yl)methyl]cyclopentan-1-ol
CID 62610936
cis-(1R,2S)-2-[(4-benzylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 131851979
4-benzyl-1-(cyclopentylmethyl)piperidine
CID 82089376
trans-(1S,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexan-1-ol
CID 70691042
2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclohexan-1-ol
CID 62610386
4-benzyl-1-[[(1R)-4-ethylcyclooctyl]methyl]piperidine
CID 142080658
2-(4-benzylpiperidin-1-yl)acetamide
CID 6465422
2-(pyrrolidin-1-ylmethyl)cycloheptan-1-ol
CID 51345852
2-(4-benzylazonan-1-yl)acetic acid
CID 69364417
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ylmethyl)-4-benzylpiperidine
CID 162283808
2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]cycloheptan-1-ol
CID 62610429
1-(4-benzylpiperidin-1-yl)-2-methylpropan-2-ol
CID 39350302

Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzylpiperidin-1-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 2-[(4-benzylpiperidin-1-yl)methyl]cyclohexan-1-ol (CID 62610935) is 2-[(4-benzylpiperidin-1-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[(4-benzylpiperidin-1-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[(4-benzylpiperidin-1-yl)methyl]cyclohexan-1-ol is OC1CCCCC1CN1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 2-[(4-benzylpiperidin-1-yl)methyl]cyclohexan-1-ol?
The InChIKey is IBKNTUOEZIFADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c21-19-9-5-4-8-18(19)15-20-12-10-17(11-13-20)14-16-6-2-1-3-7-16/h1-3,6-7,17-19,21H,4-5,8-15H2.
What are the key properties of 2-[(4-benzylpiperidin-1-yl)methyl]cyclohexan-1-ol?
2-[(4-benzylpiperidin-1-yl)methyl]cyclohexan-1-ol has a molecular weight of 287.45 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzylpiperidin-1-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 62610935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).