(4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride

C12H16Cl2N2O — CID 119472310

IUPAC(4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1CNCCN1C(=O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C12H15ClN2O.ClH/c1-9-8-14-6-7-15(9)12(16)10-2-4-11(13)5-3-10;/h2-5,9,14H,6-8H2,1H3;1H
InChIKeyYNPYQBLIMBMEBR-UHFFFAOYSA-N
MW275.18 g/mol
LogP2.20
Rot. Bonds1

About (4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride

(4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 119472310) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is (4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
PubChem CID119472310
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name(4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1CNCCN1C(=O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C12H15ClN2O.ClH/c1-9-8-14-6-7-15(9)12(16)10-2-4-11(13)5-3-10;/h2-5,9,14H,6-8H2,1H3;1H
InChIKeyYNPYQBLIMBMEBR-UHFFFAOYSA-N
XLogP2.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705562
(4-iodophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62671877
N-(4-chlorophenyl)-4-(2-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 119470429
(4-tert-butylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 62673639
(4-tert-butylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705106
3,5-dichloro-N-[4-(2-methylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119470635
(4-ethylphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705638
(2-methylpiperazin-1-yl)-(4-phenylphenyl)methanone
CID 69401759
[4-(dimethylamino)phenyl]-(2-methylpiperazin-1-yl)methanone
CID 50999638
(5-chloro-2-fluorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472374
2-(4-chlorophenyl)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119473269
(3-chloro-4-iodophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 103866778

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of (4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride (CID 119472310) is (4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for (4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride is CC1CNCCN1C(=O)c1ccc(Cl)cc1.Cl.
What is the InChIKey of (4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is YNPYQBLIMBMEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O.ClH/c1-9-8-14-6-7-15(9)12(16)10-2-4-11(13)5-3-10;/h2-5,9,14H,6-8H2,1H3;1H.
What are the key properties of (4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride?
(4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 275.18 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119472310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).