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

C13H17NO3 — CID 43133362

IUPAC[4-(hydroxymethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone
SMILESO=C(c1cccc(O)c1)N1CCC(CO)CC1
InChIInChI=1S/C13H17NO3/c15-9-10-4-6-14(7-5-10)13(17)11-2-1-3-12(16)8-11/h1-3,8,10,15-16H,4-7,9H2
InChIKeyQMJZVAUCYSULRP-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.24
Rot. Bonds2

About [4-(hydroxymethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone

[4-(hydroxymethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone (PubChem CID 43133362) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is [4-(hydroxymethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[4-(hydroxymethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone
PubChem CID43133362
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name[4-(hydroxymethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone
SMILESO=C(c1cccc(O)c1)N1CCC(CO)CC1
InChIInChI=1S/C13H17NO3/c15-9-10-4-6-14(7-5-10)13(17)11-2-1-3-12(16)8-11/h1-3,8,10,15-16H,4-7,9H2
InChIKeyQMJZVAUCYSULRP-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

[4-(bromomethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 80677526
[4-[(dimethylamino)methyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 54986051
N'-hydroxy-3-[4-(hydroxymethyl)piperidine-1-carbonyl]benzenecarboximidamide
CID 43156169
(3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818037
[3-(3-aminoprop-1-ynyl)phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 60821900
[3-(hydroxymethyl)pyrrolidin-1-yl]-(3-iodophenyl)methanone
CID 62371120
[3-[4-(1-hydroxyethyl)phenyl]phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 119068135
[3-[4-[(1S)-1-hydroxyethyl]phenyl]phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 126441230
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(3-hydroxyphenyl)methanone
CID 79403646
N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methylbutanamide
CID 110931885
1-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-1,3-diazinan-2-one
CID 166190059
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 23587339

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone?
The IUPAC name of [4-(hydroxymethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone (CID 43133362) is [4-(hydroxymethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone.
What is the SMILES notation for [4-(hydroxymethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone?
The canonical SMILES for [4-(hydroxymethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone is O=C(c1cccc(O)c1)N1CCC(CO)CC1.
What is the InChIKey of [4-(hydroxymethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone?
The InChIKey is QMJZVAUCYSULRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-9-10-4-6-14(7-5-10)13(17)11-2-1-3-12(16)8-11/h1-3,8,10,15-16H,4-7,9H2.
What are the key properties of [4-(hydroxymethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone?
[4-(hydroxymethyl)piperidin-1-yl]-(3-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 [4-(hydroxymethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone is sourced from PubChem (CID 43133362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).