(3R,4R)-3-methoxy-1-methyl-4-phenylpiperidin-4-ol

C13H19NO2 — CID 71056439

IUPAC(3R,4R)-3-methoxy-1-methyl-4-phenylpiperidin-4-ol
SMILESCO[C@@H]1CN(C)CC[C@@]1(O)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-14-9-8-13(15,12(10-14)16-2)11-6-4-3-5-7-11/h3-7,12,15H,8-10H2,1-2H3/t12-,13-/m1/s1
InChIKeyNWLOGPCMUDNMBX-CHWSQXEVSA-N
MW221.30 g/mol
LogP1.22
Rot. Bonds2

About (3R,4R)-3-methoxy-1-methyl-4-phenylpiperidin-4-ol

(3R,4R)-3-methoxy-1-methyl-4-phenylpiperidin-4-ol (PubChem CID 71056439) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (3R,4R)-3-methoxy-1-methyl-4-phenylpiperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-3-methoxy-1-methyl-4-phenylpiperidin-4-ol
PubChem CID71056439
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(3R,4R)-3-methoxy-1-methyl-4-phenylpiperidin-4-ol
SMILESCO[C@@H]1CN(C)CC[C@@]1(O)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-14-9-8-13(15,12(10-14)16-2)11-6-4-3-5-7-11/h3-7,12,15H,8-10H2,1-2H3/t12-,13-/m1/s1
InChIKeyNWLOGPCMUDNMBX-CHWSQXEVSA-N
XLogP1.22
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-methoxy-1-methyl-4-phenylpiperidin-4-ol?
The IUPAC name of (3R,4R)-3-methoxy-1-methyl-4-phenylpiperidin-4-ol (CID 71056439) is (3R,4R)-3-methoxy-1-methyl-4-phenylpiperidin-4-ol.
What is the SMILES notation for (3R,4R)-3-methoxy-1-methyl-4-phenylpiperidin-4-ol?
The canonical SMILES for (3R,4R)-3-methoxy-1-methyl-4-phenylpiperidin-4-ol is CO[C@@H]1CN(C)CC[C@@]1(O)c1ccccc1.
What is the InChIKey of (3R,4R)-3-methoxy-1-methyl-4-phenylpiperidin-4-ol?
The InChIKey is NWLOGPCMUDNMBX-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H19NO2/c1-14-9-8-13(15,12(10-14)16-2)11-6-4-3-5-7-11/h3-7,12,15H,8-10H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of (3R,4R)-3-methoxy-1-methyl-4-phenylpiperidin-4-ol?
(3R,4R)-3-methoxy-1-methyl-4-phenylpiperidin-4-ol has a molecular weight of 221.30 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-methoxy-1-methyl-4-phenylpiperidin-4-ol is sourced from PubChem (CID 71056439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).