(2S)-2-[(1S)-1-(4-chlorophenyl)-3-methylbutyl]piperidine

C16H24ClN — CID 134817223

IUPAC(2S)-2-[(1S)-1-(4-chlorophenyl)-3-methylbutyl]piperidine
SMILESCC(C)C[C@@H](c1ccc(Cl)cc1)[C@@H]1CCCCN1
InChIInChI=1S/C16H24ClN/c1-12(2)11-15(16-5-3-4-10-18-16)13-6-8-14(17)9-7-13/h6-9,12,15-16,18H,3-5,10-11H2,1-2H3/t15-,16-/m0/s1
InChIKeyUWHKVOABKKOHHU-HOTGVXAUSA-N
MW265.83 g/mol
LogP4.61
Rot. Bonds4

About (2S)-2-[(1S)-1-(4-chlorophenyl)-3-methylbutyl]piperidine

(2S)-2-[(1S)-1-(4-chlorophenyl)-3-methylbutyl]piperidine (PubChem CID 134817223) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is (2S)-2-[(1S)-1-(4-chlorophenyl)-3-methylbutyl]piperidine.

Molecular Properties

Compound Name(2S)-2-[(1S)-1-(4-chlorophenyl)-3-methylbutyl]piperidine
PubChem CID134817223
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC Name(2S)-2-[(1S)-1-(4-chlorophenyl)-3-methylbutyl]piperidine
SMILESCC(C)C[C@@H](c1ccc(Cl)cc1)[C@@H]1CCCCN1
InChIInChI=1S/C16H24ClN/c1-12(2)11-15(16-5-3-4-10-18-16)13-6-8-14(17)9-7-13/h6-9,12,15-16,18H,3-5,10-11H2,1-2H3/t15-,16-/m0/s1
InChIKeyUWHKVOABKKOHHU-HOTGVXAUSA-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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Related Compounds

(2S)-2-[(1S)-1-(4-chlorophenyl)-3-methylbutyl]piperidine;hydrochloride
CID 134817222
2-[1-(3-chlorophenyl)-3-methylbutyl]piperidine
CID 11499958
2-(4-chlorophenyl)-2-piperidin-2-ylethanamine
CID 83986370
(2R)-2-[bis(4-propan-2-ylphenyl)methyl]piperidine
CID 59628791
(2S)-2-[(1R)-1-phenylpropyl]pyrrolidine
CID 7047905
(2R)-2-[(1S)-1-phenylpropyl]pyrrolidine
CID 7047899
(2R)-2-[(1R)-1-phenylpropyl]pyrrolidine
CID 7047901
2-(3,4-dichlorophenyl)-2-piperidin-2-ylethanol
CID 73309636
2-(1-phenylpropyl)pyrrolidine;hydrochloride
CID 17389655
2-(1-fluoro-3-methylbutyl)piperidine
CID 105435680
1-(azepan-2-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-2-amine
CID 81356229
azepan-2-yl-(3-chloro-4-fluorophenyl)methanol
CID 81155319

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1S)-1-(4-chlorophenyl)-3-methylbutyl]piperidine?
The IUPAC name of (2S)-2-[(1S)-1-(4-chlorophenyl)-3-methylbutyl]piperidine (CID 134817223) is (2S)-2-[(1S)-1-(4-chlorophenyl)-3-methylbutyl]piperidine.
What is the SMILES notation for (2S)-2-[(1S)-1-(4-chlorophenyl)-3-methylbutyl]piperidine?
The canonical SMILES for (2S)-2-[(1S)-1-(4-chlorophenyl)-3-methylbutyl]piperidine is CC(C)C[C@@H](c1ccc(Cl)cc1)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-2-[(1S)-1-(4-chlorophenyl)-3-methylbutyl]piperidine?
The InChIKey is UWHKVOABKKOHHU-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H24ClN/c1-12(2)11-15(16-5-3-4-10-18-16)13-6-8-14(17)9-7-13/h6-9,12,15-16,18H,3-5,10-11H2,1-2H3/t15-,16-/m0/s1.
What are the key properties of (2S)-2-[(1S)-1-(4-chlorophenyl)-3-methylbutyl]piperidine?
(2S)-2-[(1S)-1-(4-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 (2S)-2-[(1S)-1-(4-chlorophenyl)-3-methylbutyl]piperidine is sourced from PubChem (CID 134817223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).