(1R)-1-(4-ethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol

C19H25N3O — CID 95104663

IUPAC(1R)-1-(4-ethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol
SMILESCCc1ccc([C@@H](O)CN2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C19H25N3O/c1-2-16-6-8-17(9-7-16)18(23)15-21-11-13-22(14-12-21)19-5-3-4-10-20-19/h3-10,18,23H,2,11-15H2,1H3/t18-/m0/s1
InChIKeyJUAOWLOHBKXMFM-SFHVURJKSA-N
MW311.43 g/mol
LogP2.50
Rot. Bonds5

About (1R)-1-(4-ethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol

(1R)-1-(4-ethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol (PubChem CID 95104663) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is (1R)-1-(4-ethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-(4-ethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol
PubChem CID95104663
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name(1R)-1-(4-ethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol
SMILESCCc1ccc([C@@H](O)CN2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C19H25N3O/c1-2-16-6-8-17(9-7-16)18(23)15-21-11-13-22(14-12-21)19-5-3-4-10-20-19/h3-10,18,23H,2,11-15H2,1H3/t18-/m0/s1
InChIKeyJUAOWLOHBKXMFM-SFHVURJKSA-N
XLogP2.50
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol chloride
CID 53351867
1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanol
CID 56686959
6-[1-hydroxy-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3-methyl-1,3-benzoxazol-2-one
CID 10428214
1-ethoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 3774471
2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
CID 115872740
(1R)-1-(1-ethylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol
CID 51872224
(2S)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine
CID 22689446
(1S)-1-(1-methylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol
CID 51587956
1-(4-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
CID 82215753
1-(4-propan-2-ylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 2882133
1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-amine
CID 43650423
1-propan-2-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 3863720

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-ethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol?
The IUPAC name of (1R)-1-(4-ethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol (CID 95104663) is (1R)-1-(4-ethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol.
What is the SMILES notation for (1R)-1-(4-ethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol?
The canonical SMILES for (1R)-1-(4-ethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol is CCc1ccc([C@@H](O)CN2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of (1R)-1-(4-ethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol?
The InChIKey is JUAOWLOHBKXMFM-SFHVURJKSA-N. The full InChI is InChI=1S/C19H25N3O/c1-2-16-6-8-17(9-7-16)18(23)15-21-11-13-22(14-12-21)19-5-3-4-10-20-19/h3-10,18,23H,2,11-15H2,1H3/t18-/m0/s1.
What are the key properties of (1R)-1-(4-ethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol?
(1R)-1-(4-ethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol has a molecular weight of 311.43 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-ethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol is sourced from PubChem (CID 95104663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).