[1-[(4-phenylmethoxyphenyl)methyl]piperidin-2-yl]methanol

C20H25NO2 — CID 23961585

IUPAC[1-[(4-phenylmethoxyphenyl)methyl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H25NO2/c22-15-19-8-4-5-13-21(19)14-17-9-11-20(12-10-17)23-16-18-6-2-1-3-7-18/h1-3,6-7,9-12,19,22H,4-5,8,13-16H2
InChIKeyLELGVJCIZLNGLW-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.61
Rot. Bonds6

About [1-[(4-phenylmethoxyphenyl)methyl]piperidin-2-yl]methanol

[1-[(4-phenylmethoxyphenyl)methyl]piperidin-2-yl]methanol (PubChem CID 23961585) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is [1-[(4-phenylmethoxyphenyl)methyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(4-phenylmethoxyphenyl)methyl]piperidin-2-yl]methanol
PubChem CID23961585
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name[1-[(4-phenylmethoxyphenyl)methyl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H25NO2/c22-15-19-8-4-5-13-21(19)14-17-9-11-20(12-10-17)23-16-18-6-2-1-3-7-18/h1-3,6-7,9-12,19,22H,4-5,8,13-16H2
InChIKeyLELGVJCIZLNGLW-UHFFFAOYSA-N
XLogP3.61
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-[[4-[[3-(2-phenylethyl)phenoxy]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol
CID 155535418
[(2R)-1-[[4-[[3-[(3-fluorophenyl)methoxy]phenoxy]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol
CID 155536715
3-[4-[[4-[[2-(2-phenylethyl)pyrrolidin-1-yl]methyl]phenyl]methoxy]phenyl]propanoic acid
CID 23159958
[1-[(1-benzylimidazol-2-yl)methyl]piperidin-2-yl]methanol
CID 110898884
4-[[(2R)-2-(hydroxymethyl)piperidin-1-yl]methyl]benzonitrile
CID 86319149
[(2R)-1-[(4-decoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 162650307
2-(hydroxymethyl)-1-[(4-phenylmethoxyphenyl)methyl]piperidine-3,4,5-triol
CID 72966586
[1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 75467118
[(2R)-1-(2-phenylethyl)piperidin-2-yl]methanol
CID 26457952
[(2R)-1-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 66689325
[(2S)-1-[(2-phenylmethoxynaphtho[1,2-f][1,3]benzodioxol-5-yl)methyl]pyrrolidin-2-yl]methanol
CID 86625133
1-methyl-2-[(4-phenylmethoxyphenoxy)methyl]piperidine;hydrochloride
CID 70065805

Frequently Asked Questions

What is the IUPAC name of [1-[(4-phenylmethoxyphenyl)methyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[(4-phenylmethoxyphenyl)methyl]piperidin-2-yl]methanol (CID 23961585) is [1-[(4-phenylmethoxyphenyl)methyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[(4-phenylmethoxyphenyl)methyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[(4-phenylmethoxyphenyl)methyl]piperidin-2-yl]methanol is OCC1CCCCN1Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of [1-[(4-phenylmethoxyphenyl)methyl]piperidin-2-yl]methanol?
The InChIKey is LELGVJCIZLNGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c22-15-19-8-4-5-13-21(19)14-17-9-11-20(12-10-17)23-16-18-6-2-1-3-7-18/h1-3,6-7,9-12,19,22H,4-5,8,13-16H2.
What are the key properties of [1-[(4-phenylmethoxyphenyl)methyl]piperidin-2-yl]methanol?
[1-[(4-phenylmethoxyphenyl)methyl]piperidin-2-yl]methanol has a molecular weight of 311.43 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-phenylmethoxyphenyl)methyl]piperidin-2-yl]methanol is sourced from PubChem (CID 23961585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).