2-(4-phenylpiperazin-1-yl)-1-pyridin-3-ylethanol

C17H21N3O — CID 3044988

IUPAC2-(4-phenylpiperazin-1-yl)-1-pyridin-3-ylethanol
SMILESOC(CN1CCN(c2ccccc2)CC1)c1cccnc1
InChIInChI=1S/C17H21N3O/c21-17(15-5-4-8-18-13-15)14-19-9-11-20(12-10-19)16-6-2-1-3-7-16/h1-8,13,17,21H,9-12,14H2
InChIKeySEBVEHLTCQRKHP-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.94
Rot. Bonds4

About 2-(4-phenylpiperazin-1-yl)-1-pyridin-3-ylethanol

2-(4-phenylpiperazin-1-yl)-1-pyridin-3-ylethanol (PubChem CID 3044988) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-(4-phenylpiperazin-1-yl)-1-pyridin-3-ylethanol.

Molecular Properties

Compound Name2-(4-phenylpiperazin-1-yl)-1-pyridin-3-ylethanol
PubChem CID3044988
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-(4-phenylpiperazin-1-yl)-1-pyridin-3-ylethanol
SMILESOC(CN1CCN(c2ccccc2)CC1)c1cccnc1
InChIInChI=1S/C17H21N3O/c21-17(15-5-4-8-18-13-15)14-19-9-11-20(12-10-19)16-6-2-1-3-7-16/h1-8,13,17,21H,9-12,14H2
InChIKeySEBVEHLTCQRKHP-UHFFFAOYSA-N
XLogP1.94
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanol
CID 3044996
(1R)-1-phenyl-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]ethanol
CID 95322338
1-(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-2-(4-phenylpiperazin-1-yl)ethanol
CID 14099726
3-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]phenol
CID 110880205
1-(4-nitrophenyl)-2-(4-phenylpiperazin-1-yl)ethanol
CID 3466603
(1R)-1-(4-ethoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanol
CID 95104653
1-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-pyridin-3-yloxyethanone
CID 95321520
1-phenyl-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanol
CID 111462476
(1R)-2-(4-phenylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 52532585
1-phenyl-4-[(2R)-2-phenylpropyl]piperazine
CID 782660
2-phenyl-3-(4-phenylpiperazin-1-yl)propanoic acid
CID 19433570
(1R)-2-phenyl-1-pyridin-3-ylethanol
CID 93312258

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpiperazin-1-yl)-1-pyridin-3-ylethanol?
The IUPAC name of 2-(4-phenylpiperazin-1-yl)-1-pyridin-3-ylethanol (CID 3044988) is 2-(4-phenylpiperazin-1-yl)-1-pyridin-3-ylethanol.
What is the SMILES notation for 2-(4-phenylpiperazin-1-yl)-1-pyridin-3-ylethanol?
The canonical SMILES for 2-(4-phenylpiperazin-1-yl)-1-pyridin-3-ylethanol is OC(CN1CCN(c2ccccc2)CC1)c1cccnc1.
What is the InChIKey of 2-(4-phenylpiperazin-1-yl)-1-pyridin-3-ylethanol?
The InChIKey is SEBVEHLTCQRKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c21-17(15-5-4-8-18-13-15)14-19-9-11-20(12-10-19)16-6-2-1-3-7-16/h1-8,13,17,21H,9-12,14H2.
What are the key properties of 2-(4-phenylpiperazin-1-yl)-1-pyridin-3-ylethanol?
2-(4-phenylpiperazin-1-yl)-1-pyridin-3-ylethanol has a molecular weight of 283.38 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpiperazin-1-yl)-1-pyridin-3-ylethanol is sourced from PubChem (CID 3044988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).