4-benzyl-1-[[(1R)-4-ethylcyclooctyl]methyl]piperidine

C23H37N — CID 142080658

IUPAC4-benzyl-1-[[(1R)-4-ethylcyclooctyl]methyl]piperidine
SMILESCCC1CCCC[C@@H](CN2CCC(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C23H37N/c1-2-20-8-6-7-11-23(13-12-20)19-24-16-14-22(15-17-24)18-21-9-4-3-5-10-21/h3-5,9-10,20,22-23H,2,6-8,11-19H2,1H3/t20?,23-/m1/s1
InChIKeyKPNPARATSSDQGF-GWQXNCQPSA-N
MW327.56 g/mol
LogP5.94
Rot. Bonds5

About 4-benzyl-1-[[(1R)-4-ethylcyclooctyl]methyl]piperidine

4-benzyl-1-[[(1R)-4-ethylcyclooctyl]methyl]piperidine (PubChem CID 142080658) has the molecular formula C23H37N and a molecular weight of 327.56 g/mol. Its IUPAC name is 4-benzyl-1-[[(1R)-4-ethylcyclooctyl]methyl]piperidine.

Molecular Properties

Compound Name4-benzyl-1-[[(1R)-4-ethylcyclooctyl]methyl]piperidine
PubChem CID142080658
Molecular FormulaC23H37N
Molecular Weight327.56 g/mol
Exact Mass327.29
IUPAC Name4-benzyl-1-[[(1R)-4-ethylcyclooctyl]methyl]piperidine
SMILESCCC1CCCC[C@@H](CN2CCC(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C23H37N/c1-2-20-8-6-7-11-23(13-12-20)19-24-16-14-22(15-17-24)18-21-9-4-3-5-10-21/h3-5,9-10,20,22-23H,2,6-8,11-19H2,1H3/t20?,23-/m1/s1
InChIKeyKPNPARATSSDQGF-GWQXNCQPSA-N
XLogP5.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.56
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-benzyl-1-(cyclopentylmethyl)piperidine
CID 82089376
4-benzyl-1-[(3-tert-butylcyclopentyl)methyl]piperidine
CID 58110987
cis-(1R,2S)-2-[(4-benzylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 131851979
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ylmethyl)-4-benzylpiperidine
CID 162283808
butane;cyclopentylmethylbenzene
CID 143522605
2-[(4-benzylpiperidin-1-yl)methyl]cyclohexan-1-ol
CID 62610935
1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methyl]piperidine;ethane
CID 142001258
N-[(1R,3S)-3-[(4-benzylpiperidin-1-yl)methyl]cyclopentyl]formamide
CID 123232157
2-[(4-benzylpiperidin-1-yl)methyl]cyclopentan-1-ol
CID 62610936
4-benzyl-1-methylazepane
CID 123177845
dilithium bis(2-(4-benzylpiperidin-1-yl)acetate)
CID 162364859
2-(4-benzylazonan-1-yl)acetic acid
CID 69364417

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[[(1R)-4-ethylcyclooctyl]methyl]piperidine?
The IUPAC name of 4-benzyl-1-[[(1R)-4-ethylcyclooctyl]methyl]piperidine (CID 142080658) is 4-benzyl-1-[[(1R)-4-ethylcyclooctyl]methyl]piperidine.
What is the SMILES notation for 4-benzyl-1-[[(1R)-4-ethylcyclooctyl]methyl]piperidine?
The canonical SMILES for 4-benzyl-1-[[(1R)-4-ethylcyclooctyl]methyl]piperidine is CCC1CCCC[C@@H](CN2CCC(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 4-benzyl-1-[[(1R)-4-ethylcyclooctyl]methyl]piperidine?
The InChIKey is KPNPARATSSDQGF-GWQXNCQPSA-N. The full InChI is InChI=1S/C23H37N/c1-2-20-8-6-7-11-23(13-12-20)19-24-16-14-22(15-17-24)18-21-9-4-3-5-10-21/h3-5,9-10,20,22-23H,2,6-8,11-19H2,1H3/t20?,23-/m1/s1.
What are the key properties of 4-benzyl-1-[[(1R)-4-ethylcyclooctyl]methyl]piperidine?
4-benzyl-1-[[(1R)-4-ethylcyclooctyl]methyl]piperidine has a molecular weight of 327.56 g/mol, XLogP of 5.94, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[[(1R)-4-ethylcyclooctyl]methyl]piperidine is sourced from PubChem (CID 142080658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).