(3R,5S)-1,3-dimethyl-5-phenylpiperidine

C13H19N — CID 134927538

IUPAC(3R,5S)-1,3-dimethyl-5-phenylpiperidine
SMILESC[C@@H]1C[C@@H](c2ccccc2)CN(C)C1
InChIInChI=1S/C13H19N/c1-11-8-13(10-14(2)9-11)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3/t11-,13-/m1/s1
InChIKeyLFFZOLXDIOABNK-DGCLKSJQSA-N
MW189.30 g/mol
LogP2.74
Rot. Bonds1

About (3R,5S)-1,3-dimethyl-5-phenylpiperidine

(3R,5S)-1,3-dimethyl-5-phenylpiperidine (PubChem CID 134927538) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (3R,5S)-1,3-dimethyl-5-phenylpiperidine.

Molecular Properties

Compound Name(3R,5S)-1,3-dimethyl-5-phenylpiperidine
PubChem CID134927538
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(3R,5S)-1,3-dimethyl-5-phenylpiperidine
SMILESC[C@@H]1C[C@@H](c2ccccc2)CN(C)C1
InChIInChI=1S/C13H19N/c1-11-8-13(10-14(2)9-11)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3/t11-,13-/m1/s1
InChIKeyLFFZOLXDIOABNK-DGCLKSJQSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5R)-1,3-dimethyl-5-phenylpiperidine
CID 166738745
(3S,5S)-3-methoxy-1-methyl-5-phenylpiperidine
CID 70561822
N-cyclopentyl-1-methyl-5-phenylpiperidin-3-amine
CID 83999692
[(1S,3R)-3-methylcyclohexyl]benzene
CID 134965435
(2S,4R)-2-tert-butyl-1-methyl-4-phenylpyrrolidine
CID 131847537
1-methyl-4-phenyl-2-propan-2-ylpyrrolidine
CID 158471478
(3-methylcyclopentyl)benzene;propane
CID 142973096
1-methyl-3-phenylpyrrolidine;oxalic acid
CID 46907274
1-(2-methyl-4-phenylpyrrolidin-1-yl)ethanone
CID 15365754
3-phenyl-1-propan-2-ylazetidine
CID 23628
N,3-dimethyl-5-phenylcyclohexan-1-amine
CID 115707725
3-methyl-1-(4-phenylcyclohexyl)azetidine
CID 90791432

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1,3-dimethyl-5-phenylpiperidine?
The IUPAC name of (3R,5S)-1,3-dimethyl-5-phenylpiperidine (CID 134927538) is (3R,5S)-1,3-dimethyl-5-phenylpiperidine.
What is the SMILES notation for (3R,5S)-1,3-dimethyl-5-phenylpiperidine?
The canonical SMILES for (3R,5S)-1,3-dimethyl-5-phenylpiperidine is C[C@@H]1C[C@@H](c2ccccc2)CN(C)C1.
What is the InChIKey of (3R,5S)-1,3-dimethyl-5-phenylpiperidine?
The InChIKey is LFFZOLXDIOABNK-DGCLKSJQSA-N. The full InChI is InChI=1S/C13H19N/c1-11-8-13(10-14(2)9-11)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3/t11-,13-/m1/s1.
What are the key properties of (3R,5S)-1,3-dimethyl-5-phenylpiperidine?
(3R,5S)-1,3-dimethyl-5-phenylpiperidine has a molecular weight of 189.30 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1,3-dimethyl-5-phenylpiperidine is sourced from PubChem (CID 134927538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).