[2-(3-chlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone;hydrochloride

C19H22Cl2N2O3 — CID 120803370

IUPAC[2-(3-chlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone;hydrochloride
SMILESCOc1cc(OC)cc(C(=O)N2CCNCC2c2cccc(Cl)c2)c1.Cl
InChIInChI=1S/C19H21ClN2O3.ClH/c1-24-16-9-14(10-17(11-16)25-2)19(23)22-7-6-21-12-18(22)13-4-3-5-15(20)8-13;/h3-5,8-11,18,21H,6-7,12H2,1-2H3;1H
InChIKeyXBNGTRLNAWNCRP-UHFFFAOYSA-N
MW397.30 g/mol
LogP3.57
Rot. Bonds4

About [2-(3-chlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone;hydrochloride

[2-(3-chlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone;hydrochloride (PubChem CID 120803370) has the molecular formula C19H22Cl2N2O3 and a molecular weight of 397.30 g/mol. Its IUPAC name is [2-(3-chlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(3-chlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone;hydrochloride
PubChem CID120803370
Molecular FormulaC19H22Cl2N2O3
Molecular Weight397.30 g/mol
Exact Mass396.10
IUPAC Name[2-(3-chlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone;hydrochloride
SMILESCOc1cc(OC)cc(C(=O)N2CCNCC2c2cccc(Cl)c2)c1.Cl
InChIInChI=1S/C19H21ClN2O3.ClH/c1-24-16-9-14(10-17(11-16)25-2)19(23)22-7-6-21-12-18(22)13-4-3-5-15(20)8-13;/h3-5,8-11,18,21H,6-7,12H2,1-2H3;1H
InChIKeyXBNGTRLNAWNCRP-UHFFFAOYSA-N
XLogP3.57
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.30
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-chlorophenyl)piperazin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone;hydrochloride
CID 120802367
[2-(3-chlorophenyl)piperazin-1-yl]-[4-(3-methoxypropoxy)phenyl]methanone;hydrochloride
CID 120802735
1-[4-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one
CID 120802746
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(3-methoxyphenyl)propan-1-one;hydrochloride
CID 120802085
3-(3-chlorophenyl)-4-(3,5-dimethoxybenzoyl)piperazin-2-one
CID 110656807
[2-(3-chlorophenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 120802374
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(3-methoxyphenyl)propan-1-one
CID 120802086
1-[2-(3-chlorophenyl)piperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 120803115
[2-(3-chlorophenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride
CID 120802183
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-methoxypropan-1-one
CID 120803481
[2-(3-chlorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 120801994
1-[2-(3-chlorophenyl)piperazin-1-yl]-4,4-dimethylpentan-1-one;hydrochloride
CID 120803430

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone;hydrochloride?
The IUPAC name of [2-(3-chlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone;hydrochloride (CID 120803370) is [2-(3-chlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone;hydrochloride.
What is the SMILES notation for [2-(3-chlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone;hydrochloride?
The canonical SMILES for [2-(3-chlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone;hydrochloride is COc1cc(OC)cc(C(=O)N2CCNCC2c2cccc(Cl)c2)c1.Cl.
What is the InChIKey of [2-(3-chlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone;hydrochloride?
The InChIKey is XBNGTRLNAWNCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3.ClH/c1-24-16-9-14(10-17(11-16)25-2)19(23)22-7-6-21-12-18(22)13-4-3-5-15(20)8-13;/h3-5,8-11,18,21H,6-7,12H2,1-2H3;1H.
What are the key properties of [2-(3-chlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone;hydrochloride?
[2-(3-chlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone;hydrochloride has a molecular weight of 397.30 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone;hydrochloride is sourced from PubChem (CID 120803370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).