4-benzyl-1-heptylpiperidine

C19H31N — CID 58576126

IUPAC4-benzyl-1-heptylpiperidine
SMILESCCCCCCCN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H31N/c1-2-3-4-5-9-14-20-15-12-19(13-16-20)17-18-10-7-6-8-11-18/h6-8,10-11,19H,2-5,9,12-17H2,1H3
InChIKeyOHURDJQWYDKLIN-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.91
Rot. Bonds8

About 4-benzyl-1-heptylpiperidine

4-benzyl-1-heptylpiperidine (PubChem CID 58576126) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 4-benzyl-1-heptylpiperidine.

Molecular Properties

Compound Name4-benzyl-1-heptylpiperidine
PubChem CID58576126
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name4-benzyl-1-heptylpiperidine
SMILESCCCCCCCN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H31N/c1-2-3-4-5-9-14-20-15-12-19(13-16-20)17-18-10-7-6-8-11-18/h6-8,10-11,19H,2-5,9,12-17H2,1H3
InChIKeyOHURDJQWYDKLIN-UHFFFAOYSA-N
XLogP4.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-heptylpiperidine?
The IUPAC name of 4-benzyl-1-heptylpiperidine (CID 58576126) is 4-benzyl-1-heptylpiperidine.
What is the SMILES notation for 4-benzyl-1-heptylpiperidine?
The canonical SMILES for 4-benzyl-1-heptylpiperidine is CCCCCCCN1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-1-heptylpiperidine?
The InChIKey is OHURDJQWYDKLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-2-3-4-5-9-14-20-15-12-19(13-16-20)17-18-10-7-6-8-11-18/h6-8,10-11,19H,2-5,9,12-17H2,1H3.
What are the key properties of 4-benzyl-1-heptylpiperidine?
4-benzyl-1-heptylpiperidine has a molecular weight of 273.46 g/mol, XLogP of 4.91, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-heptylpiperidine is sourced from PubChem (CID 58576126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).