3-benzyl-4-cycloheptylpiperidine

C19H29N — CID 79320588

IUPAC3-benzyl-4-cycloheptylpiperidine
SMILESc1ccc(CC2CNCCC2C2CCCCCC2)cc1
InChIInChI=1S/C19H29N/c1-2-7-11-17(10-6-1)19-12-13-20-15-18(19)14-16-8-4-3-5-9-16/h3-5,8-9,17-20H,1-2,6-7,10-15H2
InChIKeyBAZXZLHQSWTXEP-UHFFFAOYSA-N
MW271.45 g/mol
LogP4.43
Rot. Bonds3

About 3-benzyl-4-cycloheptylpiperidine

3-benzyl-4-cycloheptylpiperidine (PubChem CID 79320588) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is 3-benzyl-4-cycloheptylpiperidine.

Molecular Properties

Compound Name3-benzyl-4-cycloheptylpiperidine
PubChem CID79320588
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name3-benzyl-4-cycloheptylpiperidine
SMILESc1ccc(CC2CNCCC2C2CCCCCC2)cc1
InChIInChI=1S/C19H29N/c1-2-7-11-17(10-6-1)19-12-13-20-15-18(19)14-16-8-4-3-5-9-16/h3-5,8-9,17-20H,1-2,6-7,10-15H2
InChIKeyBAZXZLHQSWTXEP-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-cycloheptylpiperidine?
The IUPAC name of 3-benzyl-4-cycloheptylpiperidine (CID 79320588) is 3-benzyl-4-cycloheptylpiperidine.
What is the SMILES notation for 3-benzyl-4-cycloheptylpiperidine?
The canonical SMILES for 3-benzyl-4-cycloheptylpiperidine is c1ccc(CC2CNCCC2C2CCCCCC2)cc1.
What is the InChIKey of 3-benzyl-4-cycloheptylpiperidine?
The InChIKey is BAZXZLHQSWTXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-2-7-11-17(10-6-1)19-12-13-20-15-18(19)14-16-8-4-3-5-9-16/h3-5,8-9,17-20H,1-2,6-7,10-15H2.
What are the key properties of 3-benzyl-4-cycloheptylpiperidine?
3-benzyl-4-cycloheptylpiperidine has a molecular weight of 271.45 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-cycloheptylpiperidine is sourced from PubChem (CID 79320588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).