1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-3-pyridin-4-ylpropan-1-one

C16H25N3O2 — CID 95613223

IUPAC1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-3-pyridin-4-ylpropan-1-one
SMILESCC[C@@H](O)CN1CCN(C(=O)CCc2ccncc2)CC1
InChIInChI=1S/C16H25N3O2/c1-2-15(20)13-18-9-11-19(12-10-18)16(21)4-3-14-5-7-17-8-6-14/h5-8,15,20H,2-4,9-13H2,1H3/t15-/m1/s1
InChIKeyFPCXREGMQFWYHZ-OAHLLOKOSA-N
MW291.39 g/mol
LogP0.93
Rot. Bonds6

About 1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-3-pyridin-4-ylpropan-1-one

1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-3-pyridin-4-ylpropan-1-one (PubChem CID 95613223) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-3-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-3-pyridin-4-ylpropan-1-one
PubChem CID95613223
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-3-pyridin-4-ylpropan-1-one
SMILESCC[C@@H](O)CN1CCN(C(=O)CCc2ccncc2)CC1
InChIInChI=1S/C16H25N3O2/c1-2-15(20)13-18-9-11-19(12-10-18)16(21)4-3-14-5-7-17-8-6-14/h5-8,15,20H,2-4,9-13H2,1H3/t15-/m1/s1
InChIKeyFPCXREGMQFWYHZ-OAHLLOKOSA-N
XLogP0.93
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 95340534
1-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 95345615
1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 95334915
3-(4-ethylphenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propan-1-one
CID 110709163
3-(2-fluorophenyl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]propan-1-one
CID 95351563
1-[4-(2,2-difluoro-3-hydroxypropyl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 126834571
2-(4-fluorophenyl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone
CID 95337967
1-(3-pyridin-4-ylpropanoyl)piperidin-4-one
CID 82475134
1-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 95613238
1-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridin-4-ylpropan-1-one
CID 70786553
1-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-3-methylsulfanylpropan-1-one
CID 95340577
1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-4-phenoxybutan-1-one
CID 95348965

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-3-pyridin-4-ylpropan-1-one?
The IUPAC name of 1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-3-pyridin-4-ylpropan-1-one (CID 95613223) is 1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-3-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-3-pyridin-4-ylpropan-1-one?
The canonical SMILES for 1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-3-pyridin-4-ylpropan-1-one is CC[C@@H](O)CN1CCN(C(=O)CCc2ccncc2)CC1.
What is the InChIKey of 1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-3-pyridin-4-ylpropan-1-one?
The InChIKey is FPCXREGMQFWYHZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-2-15(20)13-18-9-11-19(12-10-18)16(21)4-3-14-5-7-17-8-6-14/h5-8,15,20H,2-4,9-13H2,1H3/t15-/m1/s1.
What are the key properties of 1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-3-pyridin-4-ylpropan-1-one?
1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-3-pyridin-4-ylpropan-1-one has a molecular weight of 291.39 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-3-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 95613223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).