(3S,5S)-1-butyl-3-chloro-5-phenylpiperidine

C15H22ClN — CID 101182718

IUPAC(3S,5S)-1-butyl-3-chloro-5-phenylpiperidine
SMILESCCCCN1C[C@@H](Cl)C[C@@H](c2ccccc2)C1
InChIInChI=1S/C15H22ClN/c1-2-3-9-17-11-14(10-15(16)12-17)13-7-5-4-6-8-13/h4-8,14-15H,2-3,9-12H2,1H3/t14-,15+/m1/s1
InChIKeyXEHRLZREDAFZLB-CABCVRRESA-N
MW251.80 g/mol
LogP3.88
Rot. Bonds4

About (3S,5S)-1-butyl-3-chloro-5-phenylpiperidine

(3S,5S)-1-butyl-3-chloro-5-phenylpiperidine (PubChem CID 101182718) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is (3S,5S)-1-butyl-3-chloro-5-phenylpiperidine.

Molecular Properties

Compound Name(3S,5S)-1-butyl-3-chloro-5-phenylpiperidine
PubChem CID101182718
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name(3S,5S)-1-butyl-3-chloro-5-phenylpiperidine
SMILESCCCCN1C[C@@H](Cl)C[C@@H](c2ccccc2)C1
InChIInChI=1S/C15H22ClN/c1-2-3-9-17-11-14(10-15(16)12-17)13-7-5-4-6-8-13/h4-8,14-15H,2-3,9-12H2,1H3/t14-,15+/m1/s1
InChIKeyXEHRLZREDAFZLB-CABCVRRESA-N
XLogP3.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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N-benzyl-1-butyl-5-methylpiperidin-3-amine
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1-butyl-4-phenylpiperidine-2,6-dione
CID 58822038
2-[3-(ethylamino)-5-phenylpiperidin-1-yl]ethanol
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CID 174328698
(3R,4R)-1-dodecyl-3,4-bis(phenylsulfanyl)pyrrolidine
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(2R,5S)-2-(benzenesulfonylmethyl)-1-butyl-5-phenylpiperidine
CID 158911284
(2S,3S)-1-butyl-2,3-diphenylaziridine
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3-phenyl-1-propylpiperidine
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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-1-butyl-3-chloro-5-phenylpiperidine?
The IUPAC name of (3S,5S)-1-butyl-3-chloro-5-phenylpiperidine (CID 101182718) is (3S,5S)-1-butyl-3-chloro-5-phenylpiperidine.
What is the SMILES notation for (3S,5S)-1-butyl-3-chloro-5-phenylpiperidine?
The canonical SMILES for (3S,5S)-1-butyl-3-chloro-5-phenylpiperidine is CCCCN1C[C@@H](Cl)C[C@@H](c2ccccc2)C1.
What is the InChIKey of (3S,5S)-1-butyl-3-chloro-5-phenylpiperidine?
The InChIKey is XEHRLZREDAFZLB-CABCVRRESA-N. The full InChI is InChI=1S/C15H22ClN/c1-2-3-9-17-11-14(10-15(16)12-17)13-7-5-4-6-8-13/h4-8,14-15H,2-3,9-12H2,1H3/t14-,15+/m1/s1.
What are the key properties of (3S,5S)-1-butyl-3-chloro-5-phenylpiperidine?
(3S,5S)-1-butyl-3-chloro-5-phenylpiperidine has a molecular weight of 251.80 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-1-butyl-3-chloro-5-phenylpiperidine is sourced from PubChem (CID 101182718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).