[3-[(3R,4R)-3-methoxy-1-methylpiperidin-4-yl]phenyl]methanol

C14H21NO2 — CID 54081141

IUPAC[3-[(3R,4R)-3-methoxy-1-methylpiperidin-4-yl]phenyl]methanol
SMILESCO[C@H]1CN(C)CC[C@@H]1c1cccc(CO)c1
InChIInChI=1S/C14H21NO2/c1-15-7-6-13(14(9-15)17-2)12-5-3-4-11(8-12)10-16/h3-5,8,13-14,16H,6-7,9-10H2,1-2H3/t13-,14+/m1/s1
InChIKeyMNEVRJOEOKLJOO-KGLIPLIRSA-N
MW235.33 g/mol
LogP1.61
Rot. Bonds3

About [3-[(3R,4R)-3-methoxy-1-methylpiperidin-4-yl]phenyl]methanol

[3-[(3R,4R)-3-methoxy-1-methylpiperidin-4-yl]phenyl]methanol (PubChem CID 54081141) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is [3-[(3R,4R)-3-methoxy-1-methylpiperidin-4-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[(3R,4R)-3-methoxy-1-methylpiperidin-4-yl]phenyl]methanol
PubChem CID54081141
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name[3-[(3R,4R)-3-methoxy-1-methylpiperidin-4-yl]phenyl]methanol
SMILESCO[C@H]1CN(C)CC[C@@H]1c1cccc(CO)c1
InChIInChI=1S/C14H21NO2/c1-15-7-6-13(14(9-15)17-2)12-5-3-4-11(8-12)10-16/h3-5,8,13-14,16H,6-7,9-10H2,1-2H3/t13-,14+/m1/s1
InChIKeyMNEVRJOEOKLJOO-KGLIPLIRSA-N
XLogP1.61
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-3-methoxy-4-[3-(2-methoxyethenyl)phenyl]-1-methylpiperidine
CID 54226738
(3-cyclopropylphenyl)methanol;ethane;molecular hydrogen
CID 156722104
(3S,4S)-3-methoxy-1-methylpiperidin-4-ol
CID 154669394
[3-(3,4-dimethoxypyrrolidin-1-yl)sulfonylphenyl]methanol
CID 103541145
[3-[(1-methylpiperidin-4-yl)amino]phenyl]methanol
CID 43715020
O-[2-[3-(1-methylpyrrolidin-3-yl)phenyl]ethyl]hydroxylamine
CID 117314821
tert-butyl (3R,4R)-3-methoxy-4-(3-methylphenyl)piperidine-1-carboxylate
CID 70239687
(3-cycloheptylphenyl)methanol
CID 84672634
2-methyl-3-[3-(1-methylpyrrolidin-3-yl)phenyl]propan-1-amine
CID 116988517
4-[3-(hydroxymethyl)phenyl]-3-[(4-phenylmethoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid
CID 22128922
tert-butyl 3-[3-(hydroxymethyl)phenyl]pyrrolidine-1-carboxylate
CID 57368635
(3R)-1,3-dimethyl-4-(3-propoxyphenyl)piperidine
CID 143447260

Frequently Asked Questions

What is the IUPAC name of [3-[(3R,4R)-3-methoxy-1-methylpiperidin-4-yl]phenyl]methanol?
The IUPAC name of [3-[(3R,4R)-3-methoxy-1-methylpiperidin-4-yl]phenyl]methanol (CID 54081141) is [3-[(3R,4R)-3-methoxy-1-methylpiperidin-4-yl]phenyl]methanol.
What is the SMILES notation for [3-[(3R,4R)-3-methoxy-1-methylpiperidin-4-yl]phenyl]methanol?
The canonical SMILES for [3-[(3R,4R)-3-methoxy-1-methylpiperidin-4-yl]phenyl]methanol is CO[C@H]1CN(C)CC[C@@H]1c1cccc(CO)c1.
What is the InChIKey of [3-[(3R,4R)-3-methoxy-1-methylpiperidin-4-yl]phenyl]methanol?
The InChIKey is MNEVRJOEOKLJOO-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H21NO2/c1-15-7-6-13(14(9-15)17-2)12-5-3-4-11(8-12)10-16/h3-5,8,13-14,16H,6-7,9-10H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of [3-[(3R,4R)-3-methoxy-1-methylpiperidin-4-yl]phenyl]methanol?
[3-[(3R,4R)-3-methoxy-1-methylpiperidin-4-yl]phenyl]methanol has a molecular weight of 235.33 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3R,4R)-3-methoxy-1-methylpiperidin-4-yl]phenyl]methanol is sourced from PubChem (CID 54081141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).