[4-(4-benzylpiperidin-1-yl)-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone

C27H36N2O — CID 11079978

IUPAC[4-(4-benzylpiperidin-1-yl)-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone
SMILESCc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C27H36N2O/c1-21-8-7-9-22(2)25(21)26(30)28-18-14-27(3,15-19-28)29-16-12-24(13-17-29)20-23-10-5-4-6-11-23/h4-11,24H,12-20H2,1-3H3
InChIKeySFQVZFORUREWSK-UHFFFAOYSA-N
MW404.60 g/mol
LogP5.25
Rot. Bonds4

About [4-(4-benzylpiperidin-1-yl)-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone

[4-(4-benzylpiperidin-1-yl)-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone (PubChem CID 11079978) has the molecular formula C27H36N2O and a molecular weight of 404.60 g/mol. Its IUPAC name is [4-(4-benzylpiperidin-1-yl)-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone.

Molecular Properties

Compound Name[4-(4-benzylpiperidin-1-yl)-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone
PubChem CID11079978
Molecular FormulaC27H36N2O
Molecular Weight404.60 g/mol
Exact Mass404.28
IUPAC Name[4-(4-benzylpiperidin-1-yl)-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone
SMILESCc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C27H36N2O/c1-21-8-7-9-22(2)25(21)26(30)28-18-14-27(3,15-19-28)29-16-12-24(13-17-29)20-23-10-5-4-6-11-23/h4-11,24H,12-20H2,1-3H3
InChIKeySFQVZFORUREWSK-UHFFFAOYSA-N
XLogP5.25
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.60
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(4-benzylpiperidin-1-yl)-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone?
The IUPAC name of [4-(4-benzylpiperidin-1-yl)-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone (CID 11079978) is [4-(4-benzylpiperidin-1-yl)-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone.
What is the SMILES notation for [4-(4-benzylpiperidin-1-yl)-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone?
The canonical SMILES for [4-(4-benzylpiperidin-1-yl)-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone is Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Cc3ccccc3)CC2)CC1.
What is the InChIKey of [4-(4-benzylpiperidin-1-yl)-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone?
The InChIKey is SFQVZFORUREWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O/c1-21-8-7-9-22(2)25(21)26(30)28-18-14-27(3,15-19-28)29-16-12-24(13-17-29)20-23-10-5-4-6-11-23/h4-11,24H,12-20H2,1-3H3.
What are the key properties of [4-(4-benzylpiperidin-1-yl)-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone?
[4-(4-benzylpiperidin-1-yl)-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone has a molecular weight of 404.60 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-benzylpiperidin-1-yl)-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone is sourced from PubChem (CID 11079978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).