2-[1-(3-chlorophenyl)-3-methylbutyl]piperidine

C16H24ClN — CID 11499958

IUPAC2-[1-(3-chlorophenyl)-3-methylbutyl]piperidine
SMILESCC(C)CC(c1cccc(Cl)c1)C1CCCCN1
InChIInChI=1S/C16H24ClN/c1-12(2)10-15(16-8-3-4-9-18-16)13-6-5-7-14(17)11-13/h5-7,11-12,15-16,18H,3-4,8-10H2,1-2H3
InChIKeyBRQZSYKMAXVFLP-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.61
Rot. Bonds4

About 2-[1-(3-chlorophenyl)-3-methylbutyl]piperidine

2-[1-(3-chlorophenyl)-3-methylbutyl]piperidine (PubChem CID 11499958) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)-3-methylbutyl]piperidine.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)-3-methylbutyl]piperidine
PubChem CID11499958
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC Name2-[1-(3-chlorophenyl)-3-methylbutyl]piperidine
SMILESCC(C)CC(c1cccc(Cl)c1)C1CCCCN1
InChIInChI=1S/C16H24ClN/c1-12(2)10-15(16-8-3-4-9-18-16)13-6-5-7-14(17)11-13/h5-7,11-12,15-16,18H,3-4,8-10H2,1-2H3
InChIKeyBRQZSYKMAXVFLP-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)-3-methylbutyl]piperidine?
The IUPAC name of 2-[1-(3-chlorophenyl)-3-methylbutyl]piperidine (CID 11499958) is 2-[1-(3-chlorophenyl)-3-methylbutyl]piperidine.
What is the SMILES notation for 2-[1-(3-chlorophenyl)-3-methylbutyl]piperidine?
The canonical SMILES for 2-[1-(3-chlorophenyl)-3-methylbutyl]piperidine is CC(C)CC(c1cccc(Cl)c1)C1CCCCN1.
What is the InChIKey of 2-[1-(3-chlorophenyl)-3-methylbutyl]piperidine?
The InChIKey is BRQZSYKMAXVFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-12(2)10-15(16-8-3-4-9-18-16)13-6-5-7-14(17)11-13/h5-7,11-12,15-16,18H,3-4,8-10H2,1-2H3.
What are the key properties of 2-[1-(3-chlorophenyl)-3-methylbutyl]piperidine?
2-[1-(3-chlorophenyl)-3-methylbutyl]piperidine has a molecular weight of 265.83 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)-3-methylbutyl]piperidine is sourced from PubChem (CID 11499958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).