[4-(cyclopropylmethoxy)phenyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride

C22H27ClN2O3 — CID 120733542

IUPAC[4-(cyclopropylmethoxy)phenyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)c1ccc(OCC2CC2)cc1.Cl
InChIInChI=1S/C22H26N2O3.ClH/c1-26-21-5-3-2-4-19(21)20-14-23-12-13-24(20)22(25)17-8-10-18(11-9-17)27-15-16-6-7-16;/h2-5,8-11,16,20,23H,6-7,12-15H2,1H3;1H
InChIKeyYHCDOCCTHPIMMJ-UHFFFAOYSA-N
MW402.92 g/mol
LogP3.69
Rot. Bonds6

About [4-(cyclopropylmethoxy)phenyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride

[4-(cyclopropylmethoxy)phenyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 120733542) has the molecular formula C22H27ClN2O3 and a molecular weight of 402.92 g/mol. Its IUPAC name is [4-(cyclopropylmethoxy)phenyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[4-(cyclopropylmethoxy)phenyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
PubChem CID120733542
Molecular FormulaC22H27ClN2O3
Molecular Weight402.92 g/mol
Exact Mass402.17
IUPAC Name[4-(cyclopropylmethoxy)phenyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)c1ccc(OCC2CC2)cc1.Cl
InChIInChI=1S/C22H26N2O3.ClH/c1-26-21-5-3-2-4-19(21)20-14-23-12-13-24(20)22(25)17-8-10-18(11-9-17)27-15-16-6-7-16;/h2-5,8-11,16,20,23H,6-7,12-15H2,1H3;1H
InChIKeyYHCDOCCTHPIMMJ-UHFFFAOYSA-N
XLogP3.69
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.92
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733353
[4-(cyclopropylmethoxy)phenyl]-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119471413
(3,4-diethoxyphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733355
N,N-diethyl-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120733486
[2-(2-methoxyphenyl)piperazin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
CID 120734013
[2-(2-methoxyphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 120734460
4-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzamide;hydrochloride
CID 120732884
[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]urea
CID 120733655
4-[3-[2-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropoxy]benzamide
CID 120735273
(2,4-dimethoxyphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120733692
[2-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 120733240
[2-(2-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride
CID 120732780

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethoxy)phenyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of [4-(cyclopropylmethoxy)phenyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride (CID 120733542) is [4-(cyclopropylmethoxy)phenyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [4-(cyclopropylmethoxy)phenyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for [4-(cyclopropylmethoxy)phenyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride is COc1ccccc1C1CNCCN1C(=O)c1ccc(OCC2CC2)cc1.Cl.
What is the InChIKey of [4-(cyclopropylmethoxy)phenyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is YHCDOCCTHPIMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3.ClH/c1-26-21-5-3-2-4-19(21)20-14-23-12-13-24(20)22(25)17-8-10-18(11-9-17)27-15-16-6-7-16;/h2-5,8-11,16,20,23H,6-7,12-15H2,1H3;1H.
What are the key properties of [4-(cyclopropylmethoxy)phenyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride?
[4-(cyclopropylmethoxy)phenyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 402.92 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethoxy)phenyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 120733542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).