[2-(hydroxymethyl)phenyl]-piperazin-1-ylmethanone

C12H16N2O2 — CID 82509255

IUPAC[2-(hydroxymethyl)phenyl]-piperazin-1-ylmethanone
SMILESO=C(c1ccccc1CO)N1CCNCC1
InChIInChI=1S/C12H16N2O2/c15-9-10-3-1-2-4-11(10)12(16)14-7-5-13-6-8-14/h1-4,13,15H,5-9H2
InChIKeyWULWAERVOULDOW-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.22
Rot. Bonds2

About [2-(hydroxymethyl)phenyl]-piperazin-1-ylmethanone

[2-(hydroxymethyl)phenyl]-piperazin-1-ylmethanone (PubChem CID 82509255) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is [2-(hydroxymethyl)phenyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)phenyl]-piperazin-1-ylmethanone
PubChem CID82509255
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name[2-(hydroxymethyl)phenyl]-piperazin-1-ylmethanone
SMILESO=C(c1ccccc1CO)N1CCNCC1
InChIInChI=1S/C12H16N2O2/c15-9-10-3-1-2-4-11(10)12(16)14-7-5-13-6-8-14/h1-4,13,15H,5-9H2
InChIKeyWULWAERVOULDOW-UHFFFAOYSA-N
XLogP0.22
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(piperazine-1-carbonyl)benzoyl chloride
CID 82511837
1,4-diazepan-1-yl(naphthalen-1-yl)methanone
CID 18933042
[2-(benzenesulfonylmethyl)phenyl]-(1,4-diazepan-1-yl)methanone
CID 119414494
(2-chlorophenyl)-(1,4-diazepan-1-yl)methanone
CID 16777333
piperazin-1-yl-(2-propan-2-ylphenyl)methanone
CID 82510229
[2-[(2-chlorophenyl)methoxy]phenyl]-piperazin-1-ylmethanone
CID 83475674
phenyl-[2-(piperazine-1-carbonyl)phenyl]methanone;hydrochloride
CID 138999143
2-[2-(hydroxymethyl)phenoxy]-1-piperazin-1-ylethanone
CID 63653956
(2-bromophenyl)-(1,4-diazepan-1-yl)methanone
CID 16771837
(2-nitrophenyl)-piperazin-1-ylmethanone;piperazine
CID 174837455
piperazin-1-yl-(2-prop-2-enoxyphenyl)methanone;hydrochloride
CID 119403725
[1-(2-ethylphenyl)-5-methylpyrazol-4-yl]-piperazin-1-ylmethanone
CID 82528703

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)phenyl]-piperazin-1-ylmethanone?
The IUPAC name of [2-(hydroxymethyl)phenyl]-piperazin-1-ylmethanone (CID 82509255) is [2-(hydroxymethyl)phenyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [2-(hydroxymethyl)phenyl]-piperazin-1-ylmethanone?
The canonical SMILES for [2-(hydroxymethyl)phenyl]-piperazin-1-ylmethanone is O=C(c1ccccc1CO)N1CCNCC1.
What is the InChIKey of [2-(hydroxymethyl)phenyl]-piperazin-1-ylmethanone?
The InChIKey is WULWAERVOULDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-9-10-3-1-2-4-11(10)12(16)14-7-5-13-6-8-14/h1-4,13,15H,5-9H2.
What are the key properties of [2-(hydroxymethyl)phenyl]-piperazin-1-ylmethanone?
[2-(hydroxymethyl)phenyl]-piperazin-1-ylmethanone has a molecular weight of 220.27 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)phenyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 82509255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).