(3S,5S)-3-methoxy-1-methyl-5-phenylpiperidine

C13H19NO — CID 70561822

IUPAC(3S,5S)-3-methoxy-1-methyl-5-phenylpiperidine
SMILESCO[C@H]1C[C@@H](c2ccccc2)CN(C)C1
InChIInChI=1S/C13H19NO/c1-14-9-12(8-13(10-14)15-2)11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3/t12-,13+/m1/s1
InChIKeyHRQQNWJDMNAGRL-OLZOCXBDSA-N
MW205.30 g/mol
LogP2.12
Rot. Bonds2

About (3S,5S)-3-methoxy-1-methyl-5-phenylpiperidine

(3S,5S)-3-methoxy-1-methyl-5-phenylpiperidine (PubChem CID 70561822) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (3S,5S)-3-methoxy-1-methyl-5-phenylpiperidine.

Molecular Properties

Compound Name(3S,5S)-3-methoxy-1-methyl-5-phenylpiperidine
PubChem CID70561822
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(3S,5S)-3-methoxy-1-methyl-5-phenylpiperidine
SMILESCO[C@H]1C[C@@H](c2ccccc2)CN(C)C1
InChIInChI=1S/C13H19NO/c1-14-9-12(8-13(10-14)15-2)11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3/t12-,13+/m1/s1
InChIKeyHRQQNWJDMNAGRL-OLZOCXBDSA-N
XLogP2.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3-methoxy-1-methyl-5-phenylpiperidine?
The IUPAC name of (3S,5S)-3-methoxy-1-methyl-5-phenylpiperidine (CID 70561822) is (3S,5S)-3-methoxy-1-methyl-5-phenylpiperidine.
What is the SMILES notation for (3S,5S)-3-methoxy-1-methyl-5-phenylpiperidine?
The canonical SMILES for (3S,5S)-3-methoxy-1-methyl-5-phenylpiperidine is CO[C@H]1C[C@@H](c2ccccc2)CN(C)C1.
What is the InChIKey of (3S,5S)-3-methoxy-1-methyl-5-phenylpiperidine?
The InChIKey is HRQQNWJDMNAGRL-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H19NO/c1-14-9-12(8-13(10-14)15-2)11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of (3S,5S)-3-methoxy-1-methyl-5-phenylpiperidine?
(3S,5S)-3-methoxy-1-methyl-5-phenylpiperidine has a molecular weight of 205.30 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-3-methoxy-1-methyl-5-phenylpiperidine is sourced from PubChem (CID 70561822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).