(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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Related Compounds

3-[(3R,4S)-3,4-dimethylpiperidin-4-yl]phenol;phenol
CID 67900798
3-[(3R,4R)-3,4-dimethylpiperidin-4-yl]phenol
CID 11052767
3-(3,4-dimethylpiperidin-4-yl)benzoic acid
CID 66952349
N-[3-(3,4-dimethylpiperidin-4-yl)phenyl]-1-phenylmethanesulfonamide
CID 70182403
3,4-dimethyl-4-[3-(2H-triazol-4-yl)phenyl]piperidine
CID 22707943
3-methyl-2,3-diphenylpyrrolidine
CID 62722920
ethane;4-methyl-4-phenylpiperidine
CID 91476557
3,6-dimethyl-3-(3-phenylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 68658956
3-methyl-3-phenylpyrrolidine
CID 21098616
4-chloro-4-methyl-3-phenylpiperidine
CID 173316936
2,3-dimethyl-3-phenylcyclobutan-1-one
CID 131076191
5-[(1S,2S)-2-methyl-2-phenylcyclopropyl]-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 167027018

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).