(2R,5S)-2-methyl-5-phenylpiperidine

C12H17N — CID 95374662

IUPAC(2R,5S)-2-methyl-5-phenylpiperidine
SMILESC[C@@H]1CC[C@@H](c2ccccc2)CN1
InChIInChI=1S/C12H17N/c1-10-7-8-12(9-13-10)11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3/t10-,12-/m1/s1
InChIKeyMDNNQUKRMONUEH-ZYHUDNBSSA-N
MW175.28 g/mol
LogP2.54
Rot. Bonds1

About (2R,5S)-2-methyl-5-phenylpiperidine

(2R,5S)-2-methyl-5-phenylpiperidine (PubChem CID 95374662) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is (2R,5S)-2-methyl-5-phenylpiperidine.

Molecular Properties

Compound Name(2R,5S)-2-methyl-5-phenylpiperidine
PubChem CID95374662
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name(2R,5S)-2-methyl-5-phenylpiperidine
SMILESC[C@@H]1CC[C@@H](c2ccccc2)CN1
InChIInChI=1S/C12H17N/c1-10-7-8-12(9-13-10)11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3/t10-,12-/m1/s1
InChIKeyMDNNQUKRMONUEH-ZYHUDNBSSA-N
XLogP2.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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ethane;3-phenylpyrrolidine
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(2S,5R)-5-benzyl-2-methylpiperidine
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2-methyl-5-(2-propoxyphenyl)piperidine
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CID 64985243
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1-cyclopropyl-5-methyl-2-phenylpiperazine
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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-methyl-5-phenylpiperidine?
The IUPAC name of (2R,5S)-2-methyl-5-phenylpiperidine (CID 95374662) is (2R,5S)-2-methyl-5-phenylpiperidine.
What is the SMILES notation for (2R,5S)-2-methyl-5-phenylpiperidine?
The canonical SMILES for (2R,5S)-2-methyl-5-phenylpiperidine is C[C@@H]1CC[C@@H](c2ccccc2)CN1.
What is the InChIKey of (2R,5S)-2-methyl-5-phenylpiperidine?
The InChIKey is MDNNQUKRMONUEH-ZYHUDNBSSA-N. The full InChI is InChI=1S/C12H17N/c1-10-7-8-12(9-13-10)11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3/t10-,12-/m1/s1.
What are the key properties of (2R,5S)-2-methyl-5-phenylpiperidine?
(2R,5S)-2-methyl-5-phenylpiperidine has a molecular weight of 175.28 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-methyl-5-phenylpiperidine is sourced from PubChem (CID 95374662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).