[3-[(3-chlorophenyl)methoxy]phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride

C19H22Cl2N2O2 — CID 119576539

IUPAC[3-[(3-chlorophenyl)methoxy]phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1CN(C(=O)c2cccc(OCc3cccc(Cl)c3)c2)CCN1.Cl
InChIInChI=1S/C19H21ClN2O2.ClH/c1-14-12-22(9-8-21-14)19(23)16-5-3-7-18(11-16)24-13-15-4-2-6-17(20)10-15;/h2-7,10-11,14,21H,8-9,12-13H2,1H3;1H
InChIKeyQABIHPJNGBRBPU-UHFFFAOYSA-N
MW381.30 g/mol
LogP3.77
Rot. Bonds4

About [3-[(3-chlorophenyl)methoxy]phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride

[3-[(3-chlorophenyl)methoxy]phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 119576539) has the molecular formula C19H22Cl2N2O2 and a molecular weight of 381.30 g/mol. Its IUPAC name is [3-[(3-chlorophenyl)methoxy]phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[3-[(3-chlorophenyl)methoxy]phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
PubChem CID119576539
Molecular FormulaC19H22Cl2N2O2
Molecular Weight381.30 g/mol
Exact Mass380.11
IUPAC Name[3-[(3-chlorophenyl)methoxy]phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1CN(C(=O)c2cccc(OCc3cccc(Cl)c3)c2)CCN1.Cl
InChIInChI=1S/C19H21ClN2O2.ClH/c1-14-12-22(9-8-21-14)19(23)16-5-3-7-18(11-16)24-13-15-4-2-6-17(20)10-15;/h2-7,10-11,14,21H,8-9,12-13H2,1H3;1H
InChIKeyQABIHPJNGBRBPU-UHFFFAOYSA-N
XLogP3.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(3-chlorophenyl)methoxy]phenyl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119635191
[3-[2-(3-chlorophenyl)ethoxy]phenyl]-piperazin-1-ylmethanone
CID 58347598
2-[[3-[(3S)-3-methylpiperazine-1-carbonyl]phenyl]methoxy]benzamide
CID 124693496
[3-[(3-chlorophenyl)methoxy]phenyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119621851
(3-hydroxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426598
[3-[(3,4-dichlorophenyl)methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 8815161
[3-[(3-fluorophenoxy)methyl]phenyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401906
[3-[(3,4-dichlorophenyl)methoxy]phenyl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 8815293
N-(3-chlorophenyl)-3-(3-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 119580020
methyl 3-[(3S)-3-methylpiperazine-1-carbonyl]benzoate
CID 176515178
[1-(3-chlorophenyl)pyrazol-4-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119579544
(3-aminopyrrolidin-1-yl)-[3-[(3-methylphenyl)methoxy]phenyl]methanone
CID 146081197

Frequently Asked Questions

What is the IUPAC name of [3-[(3-chlorophenyl)methoxy]phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of [3-[(3-chlorophenyl)methoxy]phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride (CID 119576539) is [3-[(3-chlorophenyl)methoxy]phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [3-[(3-chlorophenyl)methoxy]phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for [3-[(3-chlorophenyl)methoxy]phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride is CC1CN(C(=O)c2cccc(OCc3cccc(Cl)c3)c2)CCN1.Cl.
What is the InChIKey of [3-[(3-chlorophenyl)methoxy]phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is QABIHPJNGBRBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2.ClH/c1-14-12-22(9-8-21-14)19(23)16-5-3-7-18(11-16)24-13-15-4-2-6-17(20)10-15;/h2-7,10-11,14,21H,8-9,12-13H2,1H3;1H.
What are the key properties of [3-[(3-chlorophenyl)methoxy]phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride?
[3-[(3-chlorophenyl)methoxy]phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 381.30 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-chlorophenyl)methoxy]phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119576539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).