1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ylmethyl)-4-benzylpiperidine

C22H33N — CID 162283808

IUPAC1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ylmethyl)-4-benzylpiperidine
SMILESc1ccc(CC2CCN(CC3CCC4CCCC4C3)CC2)cc1
InChIInChI=1S/C22H33N/c1-2-5-18(6-3-1)15-19-11-13-23(14-12-19)17-20-9-10-21-7-4-8-22(21)16-20/h1-3,5-6,19-22H,4,7-17H2
InChIKeyHKJLHPNMLJHYMZ-UHFFFAOYSA-N
MW311.51 g/mol
LogP5.16
Rot. Bonds4

About 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ylmethyl)-4-benzylpiperidine

1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ylmethyl)-4-benzylpiperidine (PubChem CID 162283808) has the molecular formula C22H33N and a molecular weight of 311.51 g/mol. Its IUPAC name is 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ylmethyl)-4-benzylpiperidine.

Molecular Properties

Compound Name1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ylmethyl)-4-benzylpiperidine
PubChem CID162283808
Molecular FormulaC22H33N
Molecular Weight311.51 g/mol
Exact Mass311.26
IUPAC Name1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ylmethyl)-4-benzylpiperidine
SMILESc1ccc(CC2CCN(CC3CCC4CCCC4C3)CC2)cc1
InChIInChI=1S/C22H33N/c1-2-5-18(6-3-1)15-19-11-13-23(14-12-19)17-20-9-10-21-7-4-8-22(21)16-20/h1-3,5-6,19-22H,4,7-17H2
InChIKeyHKJLHPNMLJHYMZ-UHFFFAOYSA-N
XLogP5.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.51
LogP ≤ 55.16
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
N-[(1R,3S)-3-[(4-benzylpiperidin-1-yl)methyl]cyclopentyl]formamide
CID 123232157
4-benzyl-1-[[(1R)-4-ethylcyclooctyl]methyl]piperidine
CID 142080658
2-[(4-benzylpiperidin-1-yl)methyl]cyclopentan-1-ol
CID 62610936
1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl)piperidin-4-yl]-3-benzyl-2H-benzimidazole
CID 141057733
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-[(3-benzylcyclobutyl)methyl]piperazine
CID 173344354
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-(4-benzylcycloheptyl)propan-2-one
CID 91289948
dilithium bis(2-(4-benzylpiperidin-1-yl)acetate)
CID 162364859
1,3-dibenzylcyclooctane
CID 3045388

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ylmethyl)-4-benzylpiperidine?
The IUPAC name of 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ylmethyl)-4-benzylpiperidine (CID 162283808) is 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ylmethyl)-4-benzylpiperidine.
What is the SMILES notation for 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ylmethyl)-4-benzylpiperidine?
The canonical SMILES for 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ylmethyl)-4-benzylpiperidine is c1ccc(CC2CCN(CC3CCC4CCCC4C3)CC2)cc1.
What is the InChIKey of 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ylmethyl)-4-benzylpiperidine?
The InChIKey is HKJLHPNMLJHYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N/c1-2-5-18(6-3-1)15-19-11-13-23(14-12-19)17-20-9-10-21-7-4-8-22(21)16-20/h1-3,5-6,19-22H,4,7-17H2.
What are the key properties of 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ylmethyl)-4-benzylpiperidine?
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ylmethyl)-4-benzylpiperidine has a molecular weight of 311.51 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ylmethyl)-4-benzylpiperidine is sourced from PubChem (CID 162283808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).