(3R,4R)-3-methoxy-4-(3-methylphenyl)piperidine;hydrochloride

C13H20ClNO — CID 21309134

IUPAC(3R,4R)-3-methoxy-4-(3-methylphenyl)piperidine;hydrochloride
SMILESCO[C@H]1CNCC[C@@H]1c1cccc(C)c1.Cl
InChIInChI=1S/C13H19NO.ClH/c1-10-4-3-5-11(8-10)12-6-7-14-9-13(12)15-2;/h3-5,8,12-14H,6-7,9H2,1-2H3;1H/t12-,13+;/m1./s1
InChIKeyDETDLQJADDDDTF-KZCZEQIWSA-N
MW241.76 g/mol
LogP2.51
Rot. Bonds2

About (3R,4R)-3-methoxy-4-(3-methylphenyl)piperidine;hydrochloride

(3R,4R)-3-methoxy-4-(3-methylphenyl)piperidine;hydrochloride (PubChem CID 21309134) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is (3R,4R)-3-methoxy-4-(3-methylphenyl)piperidine;hydrochloride.

Molecular Properties

Compound Name(3R,4R)-3-methoxy-4-(3-methylphenyl)piperidine;hydrochloride
PubChem CID21309134
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name(3R,4R)-3-methoxy-4-(3-methylphenyl)piperidine;hydrochloride
SMILESCO[C@H]1CNCC[C@@H]1c1cccc(C)c1.Cl
InChIInChI=1S/C13H19NO.ClH/c1-10-4-3-5-11(8-10)12-6-7-14-9-13(12)15-2;/h3-5,8,12-14H,6-7,9H2,1-2H3;1H/t12-,13+;/m1./s1
InChIKeyDETDLQJADDDDTF-KZCZEQIWSA-N
XLogP2.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-methylphenyl)-3-phenylmethoxypiperidine
CID 21193252
4-(3-methylphenyl)-3-phenylpiperidine
CID 79312119
[(3R)-4-(3-methylphenyl)piperidin-3-yl] 2-methoxybenzoate
CID 142245480
4-(3-bromophenyl)-3-(3-methylphenyl)piperidine
CID 79441754
4-(3-methylphenyl)-3-(2-methylpropyl)piperidine
CID 79320999
4-(2-methylphenyl)-3-(3-methylphenyl)piperidine
CID 79441677
3-(2-fluorophenyl)-4-(3-methylphenyl)piperidine
CID 79454812
4-(3-methoxyphenyl)-3-(4-methylphenyl)piperidine
CID 79432555
3-(3-bromophenyl)-4-(3,5-dimethylphenyl)piperidine
CID 79429992
3-methoxypiperidin-4-ol;toluene
CID 143401934
4-butan-2-yl-3-(3-methylphenyl)piperidine
CID 79441756
3-methoxy-4-(2-methoxyphenyl)piperidine
CID 70219003

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-methoxy-4-(3-methylphenyl)piperidine;hydrochloride?
The IUPAC name of (3R,4R)-3-methoxy-4-(3-methylphenyl)piperidine;hydrochloride (CID 21309134) is (3R,4R)-3-methoxy-4-(3-methylphenyl)piperidine;hydrochloride.
What is the SMILES notation for (3R,4R)-3-methoxy-4-(3-methylphenyl)piperidine;hydrochloride?
The canonical SMILES for (3R,4R)-3-methoxy-4-(3-methylphenyl)piperidine;hydrochloride is CO[C@H]1CNCC[C@@H]1c1cccc(C)c1.Cl.
What is the InChIKey of (3R,4R)-3-methoxy-4-(3-methylphenyl)piperidine;hydrochloride?
The InChIKey is DETDLQJADDDDTF-KZCZEQIWSA-N. The full InChI is InChI=1S/C13H19NO.ClH/c1-10-4-3-5-11(8-10)12-6-7-14-9-13(12)15-2;/h3-5,8,12-14H,6-7,9H2,1-2H3;1H/t12-,13+;/m1./s1.
What are the key properties of (3R,4R)-3-methoxy-4-(3-methylphenyl)piperidine;hydrochloride?
(3R,4R)-3-methoxy-4-(3-methylphenyl)piperidine;hydrochloride has a molecular weight of 241.76 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-methoxy-4-(3-methylphenyl)piperidine;hydrochloride is sourced from PubChem (CID 21309134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).