1-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-pyridin-2-ylbutan-1-one

C19H23N3O2 — CID 75384862

IUPAC1-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-pyridin-2-ylbutan-1-one
SMILESO=C(CCCc1ccccn1)N1CCN(c2cccc(O)c2)CC1
InChIInChI=1S/C19H23N3O2/c23-18-8-4-7-17(15-18)21-11-13-22(14-12-21)19(24)9-3-6-16-5-1-2-10-20-16/h1-2,4-5,7-8,10,15,23H,3,6,9,11-14H2
InChIKeyNRCNUVASCYOKLM-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.46
Rot. Bonds5

About 1-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-pyridin-2-ylbutan-1-one

1-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-pyridin-2-ylbutan-1-one (PubChem CID 75384862) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-pyridin-2-ylbutan-1-one.

Molecular Properties

Compound Name1-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-pyridin-2-ylbutan-1-one
PubChem CID75384862
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-pyridin-2-ylbutan-1-one
SMILESO=C(CCCc1ccccn1)N1CCN(c2cccc(O)c2)CC1
InChIInChI=1S/C19H23N3O2/c23-18-8-4-7-17(15-18)21-11-13-22(14-12-21)19(24)9-3-6-16-5-1-2-10-20-16/h1-2,4-5,7-8,10,15,23H,3,6,9,11-14H2
InChIKeyNRCNUVASCYOKLM-UHFFFAOYSA-N
XLogP2.46
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 71980554
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 110389220
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)-4-pyridin-2-ylbutan-1-one
CID 56780008
1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 95759735
3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one
CID 84583378
1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-4-pyridin-2-ylbutan-1-one
CID 126788600
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(3-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 138998017
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 143237953
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 110696933
1-[4-(3-hydroxyphenyl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120703395
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-pyridin-2-ylsulfanylethanone
CID 2197758

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-pyridin-2-ylbutan-1-one?
The IUPAC name of 1-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-pyridin-2-ylbutan-1-one (CID 75384862) is 1-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-pyridin-2-ylbutan-1-one.
What is the SMILES notation for 1-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-pyridin-2-ylbutan-1-one?
The canonical SMILES for 1-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-pyridin-2-ylbutan-1-one is O=C(CCCc1ccccn1)N1CCN(c2cccc(O)c2)CC1.
What is the InChIKey of 1-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-pyridin-2-ylbutan-1-one?
The InChIKey is NRCNUVASCYOKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-18-8-4-7-17(15-18)21-11-13-22(14-12-21)19(24)9-3-6-16-5-1-2-10-20-16/h1-2,4-5,7-8,10,15,23H,3,6,9,11-14H2.
What are the key properties of 1-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-pyridin-2-ylbutan-1-one?
1-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-pyridin-2-ylbutan-1-one has a molecular weight of 325.41 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-pyridin-2-ylbutan-1-one is sourced from PubChem (CID 75384862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).