2-chloro-4-(4-phenylpiperazin-1-yl)phenol

C16H17ClN2O — CID 174508303

IUPAC2-chloro-4-(4-phenylpiperazin-1-yl)phenol
SMILESOc1ccc(N2CCN(c3ccccc3)CC2)cc1Cl
InChIInChI=1S/C16H17ClN2O/c17-15-12-14(6-7-16(15)20)19-10-8-18(9-11-19)13-4-2-1-3-5-13/h1-7,12,20H,8-11H2
InChIKeyTVOWYMSTBPBMQE-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.37
Rot. Bonds2

About 2-chloro-4-(4-phenylpiperazin-1-yl)phenol

2-chloro-4-(4-phenylpiperazin-1-yl)phenol (PubChem CID 174508303) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-chloro-4-(4-phenylpiperazin-1-yl)phenol.

Molecular Properties

Compound Name2-chloro-4-(4-phenylpiperazin-1-yl)phenol
PubChem CID174508303
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name2-chloro-4-(4-phenylpiperazin-1-yl)phenol
SMILESOc1ccc(N2CCN(c3ccccc3)CC2)cc1Cl
InChIInChI=1S/C16H17ClN2O/c17-15-12-14(6-7-16(15)20)19-10-8-18(9-11-19)13-4-2-1-3-5-13/h1-7,12,20H,8-11H2
InChIKeyTVOWYMSTBPBMQE-UHFFFAOYSA-N
XLogP3.37
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-chloro-4-hydroxyphenyl)piperazin-1-yl]ethanone
CID 142506397
2-chloro-4-(4-ethylpiperazin-1-yl)phenol
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1-[4-(3-chloro-4-hydroxyphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 137429725
2-chloro-5-morpholin-4-ylphenol
CID 84679971
4-(4-benzylpiperazin-1-yl)-2-fluorophenol
CID 46737218
4-[(4-phenylpiperazin-1-yl)methyl]benzene-1,2-diol
CID 118737764
(2,4,5-trichlorophenyl) 4-phenylpiperazine-1-carboxylate
CID 59825532
1-(3-chloro-4-hydroxyphenyl)-4-phenyl-1,2,4-triazolidine-3,5-dione
CID 67259136
[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone
CID 42878392
2-phenyl-5-pyrrolidin-1-ylphenol
CID 91608204
2-chloro-4-[(4-pyrrolidin-1-ylphenyl)methylamino]phenol
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1-(4-phenylphenyl)aziridine
CID 152682568

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-phenylpiperazin-1-yl)phenol?
The IUPAC name of 2-chloro-4-(4-phenylpiperazin-1-yl)phenol (CID 174508303) is 2-chloro-4-(4-phenylpiperazin-1-yl)phenol.
What is the SMILES notation for 2-chloro-4-(4-phenylpiperazin-1-yl)phenol?
The canonical SMILES for 2-chloro-4-(4-phenylpiperazin-1-yl)phenol is Oc1ccc(N2CCN(c3ccccc3)CC2)cc1Cl.
What is the InChIKey of 2-chloro-4-(4-phenylpiperazin-1-yl)phenol?
The InChIKey is TVOWYMSTBPBMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c17-15-12-14(6-7-16(15)20)19-10-8-18(9-11-19)13-4-2-1-3-5-13/h1-7,12,20H,8-11H2.
What are the key properties of 2-chloro-4-(4-phenylpiperazin-1-yl)phenol?
2-chloro-4-(4-phenylpiperazin-1-yl)phenol has a molecular weight of 288.78 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-phenylpiperazin-1-yl)phenol is sourced from PubChem (CID 174508303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).