(2-chloro-5-hydroxyphenyl)-(2-methylpiperazin-1-yl)methanone

C12H15ClN2O2 — CID 106502577

IUPAC(2-chloro-5-hydroxyphenyl)-(2-methylpiperazin-1-yl)methanone
SMILESCC1CNCCN1C(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C12H15ClN2O2/c1-8-7-14-4-5-15(8)12(17)10-6-9(16)2-3-11(10)13/h2-3,6,8,14,16H,4-5,7H2,1H3
InChIKeyBKWPATVYZZNFDS-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.48
Rot. Bonds1

About (2-chloro-5-hydroxyphenyl)-(2-methylpiperazin-1-yl)methanone

(2-chloro-5-hydroxyphenyl)-(2-methylpiperazin-1-yl)methanone (PubChem CID 106502577) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is (2-chloro-5-hydroxyphenyl)-(2-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-5-hydroxyphenyl)-(2-methylpiperazin-1-yl)methanone
PubChem CID106502577
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name(2-chloro-5-hydroxyphenyl)-(2-methylpiperazin-1-yl)methanone
SMILESCC1CNCCN1C(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C12H15ClN2O2/c1-8-7-14-4-5-15(8)12(17)10-6-9(16)2-3-11(10)13/h2-3,6,8,14,16H,4-5,7H2,1H3
InChIKeyBKWPATVYZZNFDS-UHFFFAOYSA-N
XLogP1.48
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dihydroxyphenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672945
(2-chloro-5-phenylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 119472210
(2,4-dichlorophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672241
(2-hydroxy-4-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82755155
(5-chloro-2-fluorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472374
1-tert-butyl-3-[4-chloro-3-(2-methylpiperazine-1-carbonyl)phenyl]urea
CID 119470828
(3-chloro-2-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82755442
(2-chloro-5-hydroxyphenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 106502246
(2-hydroxy-4-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82756335
(2,5-dimethylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82704843
(3-chloro-4-iodophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 103866778
(4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472310

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-hydroxyphenyl)-(2-methylpiperazin-1-yl)methanone?
The IUPAC name of (2-chloro-5-hydroxyphenyl)-(2-methylpiperazin-1-yl)methanone (CID 106502577) is (2-chloro-5-hydroxyphenyl)-(2-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-chloro-5-hydroxyphenyl)-(2-methylpiperazin-1-yl)methanone?
The canonical SMILES for (2-chloro-5-hydroxyphenyl)-(2-methylpiperazin-1-yl)methanone is CC1CNCCN1C(=O)c1cc(O)ccc1Cl.
What is the InChIKey of (2-chloro-5-hydroxyphenyl)-(2-methylpiperazin-1-yl)methanone?
The InChIKey is BKWPATVYZZNFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-8-7-14-4-5-15(8)12(17)10-6-9(16)2-3-11(10)13/h2-3,6,8,14,16H,4-5,7H2,1H3.
What are the key properties of (2-chloro-5-hydroxyphenyl)-(2-methylpiperazin-1-yl)methanone?
(2-chloro-5-hydroxyphenyl)-(2-methylpiperazin-1-yl)methanone has a molecular weight of 254.72 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-hydroxyphenyl)-(2-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 106502577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).