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

C13H19N — CID 97355864

IUPAC(2R,3R)-1,2-dimethyl-3-phenylpiperidine
SMILESC[C@@H]1[C@@H](c2ccccc2)CCCN1C
InChIInChI=1S/C13H19N/c1-11-13(9-6-10-14(11)2)12-7-4-3-5-8-12/h3-5,7-8,11,13H,6,9-10H2,1-2H3/t11-,13+/m1/s1
InChIKeyYGSCDPRMMHMQBM-YPMHNXCESA-N
MW189.30 g/mol
LogP2.88
Rot. Bonds1

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

(2R,3R)-1,2-dimethyl-3-phenylpiperidine (PubChem CID 97355864) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (2R,3R)-1,2-dimethyl-3-phenylpiperidine.

Molecular Properties

Compound Name(2R,3R)-1,2-dimethyl-3-phenylpiperidine
PubChem CID97355864
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(2R,3R)-1,2-dimethyl-3-phenylpiperidine
SMILESC[C@@H]1[C@@H](c2ccccc2)CCCN1C
InChIInChI=1S/C13H19N/c1-11-13(9-6-10-14(11)2)12-7-4-3-5-8-12/h3-5,7-8,11,13H,6,9-10H2,1-2H3/t11-,13+/m1/s1
InChIKeyYGSCDPRMMHMQBM-YPMHNXCESA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(6R)-1,2,6-trimethyl-3-phenylpiperidine
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1-methyl-2-phenylazepane
CID 23447707
1-methyl-2-phenylazetidine
CID 576373
1-methyl-5-phenyl-2,3,4,5-tetrahydroazepine
CID 57110420
[(1S,2S)-2-methylcyclobutyl]benzene
CID 5314354
(2S,3S)-3,4-dimethyl-2-phenylmorpholine;hydron;chloride
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CID 135048454

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1,2-dimethyl-3-phenylpiperidine?
The IUPAC name of (2R,3R)-1,2-dimethyl-3-phenylpiperidine (CID 97355864) is (2R,3R)-1,2-dimethyl-3-phenylpiperidine.
What is the SMILES notation for (2R,3R)-1,2-dimethyl-3-phenylpiperidine?
The canonical SMILES for (2R,3R)-1,2-dimethyl-3-phenylpiperidine is C[C@@H]1[C@@H](c2ccccc2)CCCN1C.
What is the InChIKey of (2R,3R)-1,2-dimethyl-3-phenylpiperidine?
The InChIKey is YGSCDPRMMHMQBM-YPMHNXCESA-N. The full InChI is InChI=1S/C13H19N/c1-11-13(9-6-10-14(11)2)12-7-4-3-5-8-12/h3-5,7-8,11,13H,6,9-10H2,1-2H3/t11-,13+/m1/s1.
What are the key properties of (2R,3R)-1,2-dimethyl-3-phenylpiperidine?
(2R,3R)-1,2-dimethyl-3-phenylpiperidine has a molecular weight of 189.30 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1,2-dimethyl-3-phenylpiperidine is sourced from PubChem (CID 97355864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).