(4-chloro-2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride

C13H18Cl2N2O2 — CID 119580362

IUPAC(4-chloro-2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCOc1cc(Cl)ccc1C(=O)N1CCNC(C)C1.Cl
InChIInChI=1S/C13H17ClN2O2.ClH/c1-9-8-16(6-5-15-9)13(17)11-4-3-10(14)7-12(11)18-2;/h3-4,7,9,15H,5-6,8H2,1-2H3;1H
InChIKeyYBQIAHSNPWSHSY-UHFFFAOYSA-N
MW305.20 g/mol
LogP2.20
Rot. Bonds2

About (4-chloro-2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride

(4-chloro-2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 119580362) has the molecular formula C13H18Cl2N2O2 and a molecular weight of 305.20 g/mol. Its IUPAC name is (4-chloro-2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-chloro-2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
PubChem CID119580362
Molecular FormulaC13H18Cl2N2O2
Molecular Weight305.20 g/mol
Exact Mass304.07
IUPAC Name(4-chloro-2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCOc1cc(Cl)ccc1C(=O)N1CCNC(C)C1.Cl
InChIInChI=1S/C13H17ClN2O2.ClH/c1-9-8-16(6-5-15-9)13(17)11-4-3-10(14)7-12(11)18-2;/h3-4,7,9,15H,5-6,8H2,1-2H3;1H
InChIKeyYBQIAHSNPWSHSY-UHFFFAOYSA-N
XLogP2.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone
CID 65419188
(2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
CID 50999804
(5-chloro-2-propan-2-yloxyphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119576533
(5-chloro-2-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 82883730
(4-chloro-2-methoxyphenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671460
(2-methoxy-5-methylphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426724
(4-chloro-2-nitrophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427493
1-(4-chloro-2-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 63031979
(4-chloro-2-methoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493215
(2,6-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428792
(2-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427998
(2-chloro-4-fluorophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428671

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of (4-chloro-2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride (CID 119580362) is (4-chloro-2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (4-chloro-2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for (4-chloro-2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride is COc1cc(Cl)ccc1C(=O)N1CCNC(C)C1.Cl.
What is the InChIKey of (4-chloro-2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is YBQIAHSNPWSHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2.ClH/c1-9-8-16(6-5-15-9)13(17)11-4-3-10(14)7-12(11)18-2;/h3-4,7,9,15H,5-6,8H2,1-2H3;1H.
What are the key properties of (4-chloro-2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride?
(4-chloro-2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 305.20 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119580362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).