3-(3-chlorophenyl)-4-pentan-3-ylpiperidine

C16H24ClN — CID 79433289

IUPAC3-(3-chlorophenyl)-4-pentan-3-ylpiperidine
SMILESCCC(CC)C1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C16H24ClN/c1-3-12(4-2)15-8-9-18-11-16(15)13-6-5-7-14(17)10-13/h5-7,10,12,15-16,18H,3-4,8-9,11H2,1-2H3
InChIKeyMSMBTKGOOXDNKG-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.47
Rot. Bonds4

About 3-(3-chlorophenyl)-4-pentan-3-ylpiperidine

3-(3-chlorophenyl)-4-pentan-3-ylpiperidine (PubChem CID 79433289) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-4-pentan-3-ylpiperidine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-4-pentan-3-ylpiperidine
PubChem CID79433289
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC Name3-(3-chlorophenyl)-4-pentan-3-ylpiperidine
SMILESCCC(CC)C1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C16H24ClN/c1-3-12(4-2)15-8-9-18-11-16(15)13-6-5-7-14(17)10-13/h5-7,10,12,15-16,18H,3-4,8-9,11H2,1-2H3
InChIKeyMSMBTKGOOXDNKG-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-4-pentan-3-ylpiperidine?
The IUPAC name of 3-(3-chlorophenyl)-4-pentan-3-ylpiperidine (CID 79433289) is 3-(3-chlorophenyl)-4-pentan-3-ylpiperidine.
What is the SMILES notation for 3-(3-chlorophenyl)-4-pentan-3-ylpiperidine?
The canonical SMILES for 3-(3-chlorophenyl)-4-pentan-3-ylpiperidine is CCC(CC)C1CCNCC1c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-4-pentan-3-ylpiperidine?
The InChIKey is MSMBTKGOOXDNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-3-12(4-2)15-8-9-18-11-16(15)13-6-5-7-14(17)10-13/h5-7,10,12,15-16,18H,3-4,8-9,11H2,1-2H3.
What are the key properties of 3-(3-chlorophenyl)-4-pentan-3-ylpiperidine?
3-(3-chlorophenyl)-4-pentan-3-ylpiperidine has a molecular weight of 265.83 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-4-pentan-3-ylpiperidine is sourced from PubChem (CID 79433289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).