4-benzyl-1-(cyclopentylmethyl)piperidine

C18H27N — CID 82089376

IUPAC4-benzyl-1-(cyclopentylmethyl)piperidine
SMILESc1ccc(CC2CCN(CC3CCCC3)CC2)cc1
InChIInChI=1S/C18H27N/c1-2-6-16(7-3-1)14-17-10-12-19(13-11-17)15-18-8-4-5-9-18/h1-3,6-7,17-18H,4-5,8-15H2
InChIKeyADWAWMPALKCFBC-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.13
Rot. Bonds4

About 4-benzyl-1-(cyclopentylmethyl)piperidine

4-benzyl-1-(cyclopentylmethyl)piperidine (PubChem CID 82089376) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 4-benzyl-1-(cyclopentylmethyl)piperidine.

Molecular Properties

Compound Name4-benzyl-1-(cyclopentylmethyl)piperidine
PubChem CID82089376
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name4-benzyl-1-(cyclopentylmethyl)piperidine
SMILESc1ccc(CC2CCN(CC3CCCC3)CC2)cc1
InChIInChI=1S/C18H27N/c1-2-6-16(7-3-1)14-17-10-12-19(13-11-17)15-18-8-4-5-9-18/h1-3,6-7,17-18H,4-5,8-15H2
InChIKeyADWAWMPALKCFBC-UHFFFAOYSA-N
XLogP4.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-benzyl-1-[[(1R)-4-ethylcyclooctyl]methyl]piperidine
CID 142080658
cis-(1R,2S)-2-[(4-benzylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 131851979
2-[(4-benzylpiperidin-1-yl)methyl]cyclohexan-1-ol
CID 62610935
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ylmethyl)-4-benzylpiperidine
CID 162283808
2-[(4-benzylpiperidin-1-yl)methyl]cyclopentan-1-ol
CID 62610936
1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methyl]piperidine;ethane
CID 142001258
4-benzyl-1-[(3-tert-butylcyclopentyl)methyl]piperidine
CID 58110987
2-(4-benzylazonan-1-yl)acetic acid
CID 69364417
N-[(1R,3S)-3-[(4-benzylpiperidin-1-yl)methyl]cyclopentyl]formamide
CID 123232157
4-benzyl-1-methylazepane
CID 123177845
butane;cyclopentylmethylbenzene
CID 143522605
dilithium bis(2-(4-benzylpiperidin-1-yl)acetate)
CID 162364859

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(cyclopentylmethyl)piperidine?
The IUPAC name of 4-benzyl-1-(cyclopentylmethyl)piperidine (CID 82089376) is 4-benzyl-1-(cyclopentylmethyl)piperidine.
What is the SMILES notation for 4-benzyl-1-(cyclopentylmethyl)piperidine?
The canonical SMILES for 4-benzyl-1-(cyclopentylmethyl)piperidine is c1ccc(CC2CCN(CC3CCCC3)CC2)cc1.
What is the InChIKey of 4-benzyl-1-(cyclopentylmethyl)piperidine?
The InChIKey is ADWAWMPALKCFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-2-6-16(7-3-1)14-17-10-12-19(13-11-17)15-18-8-4-5-9-18/h1-3,6-7,17-18H,4-5,8-15H2.
What are the key properties of 4-benzyl-1-(cyclopentylmethyl)piperidine?
4-benzyl-1-(cyclopentylmethyl)piperidine has a molecular weight of 257.42 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(cyclopentylmethyl)piperidine is sourced from PubChem (CID 82089376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).