(2S,3S)-1,3-dimethyl-2-phenylpiperidine

C13H19N — CID 97355849

IUPAC(2S,3S)-1,3-dimethyl-2-phenylpiperidine
SMILESC[C@H]1CCCN(C)[C@@H]1c1ccccc1
InChIInChI=1S/C13H19N/c1-11-7-6-10-14(2)13(11)12-8-4-3-5-9-12/h3-5,8-9,11,13H,6-7,10H2,1-2H3/t11-,13-/m0/s1
InChIKeyZSHRGPXLYZNBCR-AAEUAGOBSA-N
MW189.30 g/mol
LogP3.09
Rot. Bonds1

About (2S,3S)-1,3-dimethyl-2-phenylpiperidine

(2S,3S)-1,3-dimethyl-2-phenylpiperidine (PubChem CID 97355849) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (2S,3S)-1,3-dimethyl-2-phenylpiperidine.

Molecular Properties

Compound Name(2S,3S)-1,3-dimethyl-2-phenylpiperidine
PubChem CID97355849
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(2S,3S)-1,3-dimethyl-2-phenylpiperidine
SMILESC[C@H]1CCCN(C)[C@@H]1c1ccccc1
InChIInChI=1S/C13H19N/c1-11-7-6-10-14(2)13(11)12-8-4-3-5-9-12/h3-5,8-9,11,13H,6-7,10H2,1-2H3/t11-,13-/m0/s1
InChIKeyZSHRGPXLYZNBCR-AAEUAGOBSA-N
XLogP3.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,3R)-1-methyl-2-phenylpiperidine-3-carboxylic acid
CID 67820250
(2R,3R)-1,2-dimethyl-3-phenylpiperidine
CID 97355864
trans-(2S,3S)-1,4,7,10-tetramethyl-2,3-diphenyl-1,4,7,10-tetrazacyclododecane
CID 10667503
methyl (2R,3S)-1-methyl-2-phenylpiperidine-3-carboxylate
CID 150173428
1-methyl-2-phenylpyrrolidine-3-carboxylic acid
CID 71778186
ethane;methyl 1-methyl-2-phenylpiperidine-3-carboxylate
CID 91342907
(5S)-6-methyl-7-phenyl-1-azabicyclo[3.2.0]heptane
CID 53360597
1-methyl-2-phenylpyrrolidine-3-carboxylic acid;hydrochloride
CID 122360453
1-methyl-2-phenylazepane
CID 23447707
(3R,4R)-1,3-dimethyl-4-phenylazepane
CID 125480807
7-chloro-1-methyl-5-phenyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
CID 54307557
(2-methylcyclopentyl)benzene
CID 12600454

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1,3-dimethyl-2-phenylpiperidine?
The IUPAC name of (2S,3S)-1,3-dimethyl-2-phenylpiperidine (CID 97355849) is (2S,3S)-1,3-dimethyl-2-phenylpiperidine.
What is the SMILES notation for (2S,3S)-1,3-dimethyl-2-phenylpiperidine?
The canonical SMILES for (2S,3S)-1,3-dimethyl-2-phenylpiperidine is C[C@H]1CCCN(C)[C@@H]1c1ccccc1.
What is the InChIKey of (2S,3S)-1,3-dimethyl-2-phenylpiperidine?
The InChIKey is ZSHRGPXLYZNBCR-AAEUAGOBSA-N. The full InChI is InChI=1S/C13H19N/c1-11-7-6-10-14(2)13(11)12-8-4-3-5-9-12/h3-5,8-9,11,13H,6-7,10H2,1-2H3/t11-,13-/m0/s1.
What are the key properties of (2S,3S)-1,3-dimethyl-2-phenylpiperidine?
(2S,3S)-1,3-dimethyl-2-phenylpiperidine has a molecular weight of 189.30 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1,3-dimethyl-2-phenylpiperidine is sourced from PubChem (CID 97355849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).