[1-(phenylmethoxymethyl)piperidin-3-yl]methanol

C14H21NO2 — CID 123481492

IUPAC[1-(phenylmethoxymethyl)piperidin-3-yl]methanol
SMILESOCC1CCCN(COCc2ccccc2)C1
InChIInChI=1S/C14H21NO2/c16-10-14-7-4-8-15(9-14)12-17-11-13-5-2-1-3-6-13/h1-3,5-6,14,16H,4,7-12H2
InChIKeyYPCKWWUXOBVNSR-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.87
Rot. Bonds5

About [1-(phenylmethoxymethyl)piperidin-3-yl]methanol

[1-(phenylmethoxymethyl)piperidin-3-yl]methanol (PubChem CID 123481492) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is [1-(phenylmethoxymethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(phenylmethoxymethyl)piperidin-3-yl]methanol
PubChem CID123481492
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name[1-(phenylmethoxymethyl)piperidin-3-yl]methanol
SMILESOCC1CCCN(COCc2ccccc2)C1
InChIInChI=1S/C14H21NO2/c16-10-14-7-4-8-15(9-14)12-17-11-13-5-2-1-3-6-13/h1-3,5-6,14,16H,4,7-12H2
InChIKeyYPCKWWUXOBVNSR-UHFFFAOYSA-N
XLogP1.87
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-1-(3-phenylpropyl)piperidin-3-yl]methanol
CID 10966412
N-[[1-(phenylmethoxymethyl)piperidin-4-yl]methyl]ethanamine
CID 102940753
(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
CID 75485238
[(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methanol
CID 129367097
[(3R)-1-[(2S)-2-phenylpropyl]piperidin-3-yl]methanol
CID 129425520
N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-2-phenylmethoxyacetamide
CID 94809339
N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-2-phenylmethoxyacetamide
CID 94809340
benzyl 4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-4-oxobutanoate
CID 142526870
2-[(3R)-1-benzylpiperidin-3-yl]acetic acid
CID 86313785
[(3R)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]methanol
CID 40514299
1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone
CID 3296338
[(3S)-1-[(2-bromophenyl)methyl]piperidin-3-yl]methanol
CID 40514210

Frequently Asked Questions

What is the IUPAC name of [1-(phenylmethoxymethyl)piperidin-3-yl]methanol?
The IUPAC name of [1-(phenylmethoxymethyl)piperidin-3-yl]methanol (CID 123481492) is [1-(phenylmethoxymethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(phenylmethoxymethyl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(phenylmethoxymethyl)piperidin-3-yl]methanol is OCC1CCCN(COCc2ccccc2)C1.
What is the InChIKey of [1-(phenylmethoxymethyl)piperidin-3-yl]methanol?
The InChIKey is YPCKWWUXOBVNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c16-10-14-7-4-8-15(9-14)12-17-11-13-5-2-1-3-6-13/h1-3,5-6,14,16H,4,7-12H2.
What are the key properties of [1-(phenylmethoxymethyl)piperidin-3-yl]methanol?
[1-(phenylmethoxymethyl)piperidin-3-yl]methanol has a molecular weight of 235.33 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(phenylmethoxymethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 123481492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).