[3-(hydroxymethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone

C13H17NO3 — CID 43403148

IUPAC[3-(hydroxymethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone
SMILESO=C(c1ccccc1O)N1CCCC(CO)C1
InChIInChI=1S/C13H17NO3/c15-9-10-4-3-7-14(8-10)13(17)11-5-1-2-6-12(11)16/h1-2,5-6,10,15-16H,3-4,7-9H2
InChIKeyKVONUYWPWHGNPQ-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.24
Rot. Bonds2

About [3-(hydroxymethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone

[3-(hydroxymethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone (PubChem CID 43403148) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is [3-(hydroxymethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone
PubChem CID43403148
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name[3-(hydroxymethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone
SMILESO=C(c1ccccc1O)N1CCCC(CO)C1
InChIInChI=1S/C13H17NO3/c15-9-10-4-3-7-14(8-10)13(17)11-5-1-2-6-12(11)16/h1-2,5-6,10,15-16H,3-4,7-9H2
InChIKeyKVONUYWPWHGNPQ-UHFFFAOYSA-N
XLogP1.24
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dihydroxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422462
[2-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone
CID 110886887
(2-hydroxy-3-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43403219
(2-benzylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110878417
[3-(hydroxymethyl)piperidin-1-yl]-(2-phenoxyphenyl)methanone
CID 110878410
(2-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone
CID 43176525
[3-(hydroxymethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone
CID 110886871
(3R)-1-(2-hydroxybenzoyl)piperidine-3-carboxylic acid
CID 30049767
(2-bromophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62348185
[2-(dimethylamino)-3-pyridinyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110311478
(2-hydrazinyl-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 62234126
2-(3-ethylpiperidine-1-carbonyl)benzoic acid
CID 43584267

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone?
The IUPAC name of [3-(hydroxymethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone (CID 43403148) is [3-(hydroxymethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone.
What is the SMILES notation for [3-(hydroxymethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone?
The canonical SMILES for [3-(hydroxymethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone is O=C(c1ccccc1O)N1CCCC(CO)C1.
What is the InChIKey of [3-(hydroxymethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone?
The InChIKey is KVONUYWPWHGNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-9-10-4-3-7-14(8-10)13(17)11-5-1-2-6-12(11)16/h1-2,5-6,10,15-16H,3-4,7-9H2.
What are the key properties of [3-(hydroxymethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone?
[3-(hydroxymethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone has a molecular weight of 235.28 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 43403148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).