3-(2-hydroxyphenyl)-1-piperazin-1-ylpropan-1-one;methane

C14H22N2O2 — CID 143559381

IUPAC3-(2-hydroxyphenyl)-1-piperazin-1-ylpropan-1-one;methane
SMILESC.O=C(CCc1ccccc1O)N1CCNCC1
InChIInChI=1S/C13H18N2O2.CH4/c16-12-4-2-1-3-11(12)5-6-13(17)15-9-7-14-8-10-15;/h1-4,14,16H,5-10H2;1H4
InChIKeyJGYBTTAQKUQYRX-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.39
Rot. Bonds3

About 3-(2-hydroxyphenyl)-1-piperazin-1-ylpropan-1-one;methane

3-(2-hydroxyphenyl)-1-piperazin-1-ylpropan-1-one;methane (PubChem CID 143559381) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-1-piperazin-1-ylpropan-1-one;methane.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-1-piperazin-1-ylpropan-1-one;methane
PubChem CID143559381
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-(2-hydroxyphenyl)-1-piperazin-1-ylpropan-1-one;methane
SMILESC.O=C(CCc1ccccc1O)N1CCNCC1
InChIInChI=1S/C13H18N2O2.CH4/c16-12-4-2-1-3-11(12)5-6-13(17)15-9-7-14-8-10-15;/h1-4,14,16H,5-10H2;1H4
InChIKeyJGYBTTAQKUQYRX-UHFFFAOYSA-N
XLogP1.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-difluorophenyl)-1-piperazin-1-ylpropan-1-one
CID 83925483
3-(2-bromophenyl)-1-(1,4-diazepan-1-yl)propan-1-one;hydrochloride
CID 119417749
3-(2-methylphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one
CID 65418972
4-(2-chlorophenyl)-1-piperazin-1-ylbutan-1-one
CID 83924216
1-(1,4-diazepan-1-yl)-3-(2-methoxyphenyl)propan-1-one
CID 82090865
3-(2-hydroxyphenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 66291219
3-(1,3-benzodioxol-4-yl)-1-piperazin-1-ylpropan-1-one
CID 110833385
3-(2-hydroxyphenyl)-1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 27796787
3-(2-pentoxyphenyl)-1-piperazin-1-ylpropan-1-one
CID 83954594
methyl 1-[3-(2-hydroxyphenyl)propanoyl]piperidine-4-carboxylate
CID 43409066
2-(4-piperazin-1-ylbutyl)phenol
CID 83930504
3-[2-[3-(hydroxymethyl)phenoxy]phenyl]-1-piperazin-1-ylpropan-1-one
CID 143559384

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-1-piperazin-1-ylpropan-1-one;methane?
The IUPAC name of 3-(2-hydroxyphenyl)-1-piperazin-1-ylpropan-1-one;methane (CID 143559381) is 3-(2-hydroxyphenyl)-1-piperazin-1-ylpropan-1-one;methane.
What is the SMILES notation for 3-(2-hydroxyphenyl)-1-piperazin-1-ylpropan-1-one;methane?
The canonical SMILES for 3-(2-hydroxyphenyl)-1-piperazin-1-ylpropan-1-one;methane is C.O=C(CCc1ccccc1O)N1CCNCC1.
What is the InChIKey of 3-(2-hydroxyphenyl)-1-piperazin-1-ylpropan-1-one;methane?
The InChIKey is JGYBTTAQKUQYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2.CH4/c16-12-4-2-1-3-11(12)5-6-13(17)15-9-7-14-8-10-15;/h1-4,14,16H,5-10H2;1H4.
What are the key properties of 3-(2-hydroxyphenyl)-1-piperazin-1-ylpropan-1-one;methane?
3-(2-hydroxyphenyl)-1-piperazin-1-ylpropan-1-one;methane has a molecular weight of 250.34 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-1-piperazin-1-ylpropan-1-one;methane is sourced from PubChem (CID 143559381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).