1-benzyl-3-(hydroxymethyl)piperidin-4-ol;methanol

C14H23NO3 — CID 158581006

IUPAC1-benzyl-3-(hydroxymethyl)piperidin-4-ol;methanol
SMILESCO.OCC1CN(Cc2ccccc2)CCC1O
InChIInChI=1S/C13H19NO2.CH4O/c15-10-12-9-14(7-6-13(12)16)8-11-4-2-1-3-5-11;1-2/h1-5,12-13,15-16H,6-10H2;2H,1H3
InChIKeyHTGDTQVZEPGLDF-UHFFFAOYSA-N
MW253.34 g/mol
LogP0.47
Rot. Bonds3

About 1-benzyl-3-(hydroxymethyl)piperidin-4-ol;methanol

1-benzyl-3-(hydroxymethyl)piperidin-4-ol;methanol (PubChem CID 158581006) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-benzyl-3-(hydroxymethyl)piperidin-4-ol;methanol.

Molecular Properties

Compound Name1-benzyl-3-(hydroxymethyl)piperidin-4-ol;methanol
PubChem CID158581006
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-benzyl-3-(hydroxymethyl)piperidin-4-ol;methanol
SMILESCO.OCC1CN(Cc2ccccc2)CCC1O
InChIInChI=1S/C13H19NO2.CH4O/c15-10-12-9-14(7-6-13(12)16)8-11-4-2-1-3-5-11;1-2/h1-5,12-13,15-16H,6-10H2;2H,1H3
InChIKeyHTGDTQVZEPGLDF-UHFFFAOYSA-N
XLogP0.47
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-ethylpiperidin-4-ol
CID 23003710
(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-ol
CID 15450831
1-benzyl-3-propylpiperidin-4-ol
CID 23003650
(3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-ol
CID 11579361
(1-benzyl-3-methylpiperidin-4-yl)methanol
CID 130927897
[(3R,4S)-1-benzyl-4-(methylamino)piperidin-3-yl]methanol
CID 129426999
1-benzyl-3-[(4-ethylphenyl)methyl]piperidin-4-ol
CID 110538160
[(3R,4S)-1-benzyl-4-(2-methylphenyl)piperidin-3-yl]methanol
CID 141122273
(3R,4R)-1-[(3,5-difluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-ol
CID 134702526
(1-benzyl-4-methylpyrrolidin-3-yl)methanol
CID 18713552
(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
CID 75485238
[(3R,4S)-1-benzyl-3-(ethylamino)piperidin-4-yl]methanol
CID 97177578

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(hydroxymethyl)piperidin-4-ol;methanol?
The IUPAC name of 1-benzyl-3-(hydroxymethyl)piperidin-4-ol;methanol (CID 158581006) is 1-benzyl-3-(hydroxymethyl)piperidin-4-ol;methanol.
What is the SMILES notation for 1-benzyl-3-(hydroxymethyl)piperidin-4-ol;methanol?
The canonical SMILES for 1-benzyl-3-(hydroxymethyl)piperidin-4-ol;methanol is CO.OCC1CN(Cc2ccccc2)CCC1O.
What is the InChIKey of 1-benzyl-3-(hydroxymethyl)piperidin-4-ol;methanol?
The InChIKey is HTGDTQVZEPGLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2.CH4O/c15-10-12-9-14(7-6-13(12)16)8-11-4-2-1-3-5-11;1-2/h1-5,12-13,15-16H,6-10H2;2H,1H3.
What are the key properties of 1-benzyl-3-(hydroxymethyl)piperidin-4-ol;methanol?
1-benzyl-3-(hydroxymethyl)piperidin-4-ol;methanol has a molecular weight of 253.34 g/mol, XLogP of 0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(hydroxymethyl)piperidin-4-ol;methanol is sourced from PubChem (CID 158581006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).