(4S)-3,4-dimethyl-4-phenylpiperidine

C13H19N — CID 69326944

IUPAC(4S)-3,4-dimethyl-4-phenylpiperidine
SMILESCC1CNCC[C@]1(C)c1ccccc1
InChIInChI=1S/C13H19N/c1-11-10-14-9-8-13(11,2)12-6-4-3-5-7-12/h3-7,11,14H,8-10H2,1-2H3/t11?,13-/m0/s1
InChIKeyJGTQRWLQXHFIES-YUZLPWPTSA-N
MW189.30 g/mol
LogP2.57
Rot. Bonds1

About (4S)-3,4-dimethyl-4-phenylpiperidine

(4S)-3,4-dimethyl-4-phenylpiperidine (PubChem CID 69326944) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (4S)-3,4-dimethyl-4-phenylpiperidine.

Molecular Properties

Compound Name(4S)-3,4-dimethyl-4-phenylpiperidine
PubChem CID69326944
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(4S)-3,4-dimethyl-4-phenylpiperidine
SMILESCC1CNCC[C@]1(C)c1ccccc1
InChIInChI=1S/C13H19N/c1-11-10-14-9-8-13(11,2)12-6-4-3-5-7-12/h3-7,11,14H,8-10H2,1-2H3/t11?,13-/m0/s1
InChIKeyJGTQRWLQXHFIES-YUZLPWPTSA-N
XLogP2.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4S)-3,4-dimethyl-4-phenylpiperidine?
The IUPAC name of (4S)-3,4-dimethyl-4-phenylpiperidine (CID 69326944) is (4S)-3,4-dimethyl-4-phenylpiperidine.
What is the SMILES notation for (4S)-3,4-dimethyl-4-phenylpiperidine?
The canonical SMILES for (4S)-3,4-dimethyl-4-phenylpiperidine is CC1CNCC[C@]1(C)c1ccccc1.
What is the InChIKey of (4S)-3,4-dimethyl-4-phenylpiperidine?
The InChIKey is JGTQRWLQXHFIES-YUZLPWPTSA-N. The full InChI is InChI=1S/C13H19N/c1-11-10-14-9-8-13(11,2)12-6-4-3-5-7-12/h3-7,11,14H,8-10H2,1-2H3/t11?,13-/m0/s1.
What are the key properties of (4S)-3,4-dimethyl-4-phenylpiperidine?
(4S)-3,4-dimethyl-4-phenylpiperidine has a molecular weight of 189.30 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3,4-dimethyl-4-phenylpiperidine is sourced from PubChem (CID 69326944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).