[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol

C14H21NO2 — CID 95165485

IUPAC[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol
SMILESCOc1ccc(CN2CCC[C@H](CO)C2)cc1
InChIInChI=1S/C14H21NO2/c1-17-14-6-4-12(5-7-14)9-15-8-2-3-13(10-15)11-16/h4-7,13,16H,2-3,8-11H2,1H3/t13-/m0/s1
InChIKeyALIYBBDZXFIALI-ZDUSSCGKSA-N
MW235.33 g/mol
LogP1.90
Rot. Bonds4

About [(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol

[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol (PubChem CID 95165485) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is [(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol
PubChem CID95165485
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol
SMILESCOc1ccc(CN2CCC[C@H](CO)C2)cc1
InChIInChI=1S/C14H21NO2/c1-17-14-6-4-12(5-7-14)9-15-8-2-3-13(10-15)11-16/h4-7,13,16H,2-3,8-11H2,1H3/t13-/m0/s1
InChIKeyALIYBBDZXFIALI-ZDUSSCGKSA-N
XLogP1.90
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 54793850
(3R)-3-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 129394219
[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanamine
CID 42253835
3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propan-1-amine
CID 83982840
N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 62580078
methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propanoate
CID 83982822
3-(chloromethyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 63388374
4-[[(3R)-3-(hydroxymethyl)piperidin-1-yl]methyl]benzonitrile
CID 86311190
1-[3-(hydroxymethyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 3298248
[1-[(4-methoxyphenyl)methyl]piperidin-3-yl] acetate
CID 46898261
methyl 1-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate;hydrochloride
CID 14181476
2-bromo-4-[[(3R)-3-(hydroxymethyl)piperidin-1-yl]methyl]-6-methoxyphenol
CID 30842642

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol (CID 95165485) is [(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol is COc1ccc(CN2CCC[C@H](CO)C2)cc1.
What is the InChIKey of [(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol?
The InChIKey is ALIYBBDZXFIALI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21NO2/c1-17-14-6-4-12(5-7-14)9-15-8-2-3-13(10-15)11-16/h4-7,13,16H,2-3,8-11H2,1H3/t13-/m0/s1.
What are the key properties of [(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol?
[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol has a molecular weight of 235.33 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 95165485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).