1-[4-(4-chloro-3-hydroxyphenyl)piperazin-1-yl]propan-1-one

C13H17ClN2O2 — CID 143061636

IUPAC1-[4-(4-chloro-3-hydroxyphenyl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2ccc(Cl)c(O)c2)CC1
InChIInChI=1S/C13H17ClN2O2/c1-2-13(18)16-7-5-15(6-8-16)10-3-4-11(14)12(17)9-10/h3-4,9,17H,2,5-8H2,1H3
InChIKeyCVRXEPBYMMSHTH-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.10
Rot. Bonds2

About 1-[4-(4-chloro-3-hydroxyphenyl)piperazin-1-yl]propan-1-one

1-[4-(4-chloro-3-hydroxyphenyl)piperazin-1-yl]propan-1-one (PubChem CID 143061636) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 1-[4-(4-chloro-3-hydroxyphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(4-chloro-3-hydroxyphenyl)piperazin-1-yl]propan-1-one
PubChem CID143061636
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name1-[4-(4-chloro-3-hydroxyphenyl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2ccc(Cl)c(O)c2)CC1
InChIInChI=1S/C13H17ClN2O2/c1-2-13(18)16-7-5-15(6-8-16)10-3-4-11(14)12(17)9-10/h3-4,9,17H,2,5-8H2,1H3
InChIKeyCVRXEPBYMMSHTH-UHFFFAOYSA-N
XLogP2.10
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
CID 113080051
2-chloro-1-[4-(4-chloro-3-ethylphenyl)piperazin-1-yl]ethanone
CID 91465258
1-[4-(3,4-dichlorophenyl)piperazin-1-yl]pentan-1-one
CID 17217206
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
1-[4-(3-chloro-4-hydroxyphenyl)piperazin-1-yl]ethanone
CID 142506397
1-[4-(4-pyrrol-1-ylphenyl)piperazin-1-yl]propan-1-one
CID 91674743
1-[3-(4-chlorophenyl)imidazolidin-1-yl]propan-1-one
CID 102279125
1-[4-(3-tert-butylphenyl)piperazin-1-yl]propan-1-one
CID 118565768
1-[4-(3,4-dichloro-5-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 155484090
3-chloro-4-methyl-N-[4-(4-propanoylpiperazin-1-yl)phenyl]benzamide
CID 4312093
4-(3,4-dichlorophenyl)-N-ethylpiperazine-1-carboxamide
CID 3323200
2-chloro-N-[4-(4-propanoylpiperazin-1-yl)phenyl]benzamide
CID 1252414

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloro-3-hydroxyphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(4-chloro-3-hydroxyphenyl)piperazin-1-yl]propan-1-one (CID 143061636) is 1-[4-(4-chloro-3-hydroxyphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(4-chloro-3-hydroxyphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(4-chloro-3-hydroxyphenyl)piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(c2ccc(Cl)c(O)c2)CC1.
What is the InChIKey of 1-[4-(4-chloro-3-hydroxyphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is CVRXEPBYMMSHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-2-13(18)16-7-5-15(6-8-16)10-3-4-11(14)12(17)9-10/h3-4,9,17H,2,5-8H2,1H3.
What are the key properties of 1-[4-(4-chloro-3-hydroxyphenyl)piperazin-1-yl]propan-1-one?
1-[4-(4-chloro-3-hydroxyphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 268.74 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloro-3-hydroxyphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 143061636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).