2-(4-chlorophenyl)-1-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethanone;hydrochloride

C18H27Cl2N3O — CID 119930221

IUPAC2-(4-chlorophenyl)-1-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCl.O=C(Cc1ccc(Cl)cc1)N1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C18H26ClN3O.ClH/c19-17-3-1-15(2-4-17)13-18(23)22-11-9-21(10-12-22)14-16-5-7-20-8-6-16;/h1-4,16,20H,5-14H2;1H
InChIKeyJXZATSGQWBINED-UHFFFAOYSA-N
MW372.34 g/mol
LogP2.45
Rot. Bonds4

About 2-(4-chlorophenyl)-1-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethanone;hydrochloride

2-(4-chlorophenyl)-1-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethanone;hydrochloride (PubChem CID 119930221) has the molecular formula C18H27Cl2N3O and a molecular weight of 372.34 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethanone;hydrochloride
PubChem CID119930221
Molecular FormulaC18H27Cl2N3O
Molecular Weight372.34 g/mol
Exact Mass371.15
IUPAC Name2-(4-chlorophenyl)-1-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCl.O=C(Cc1ccc(Cl)cc1)N1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C18H26ClN3O.ClH/c19-17-3-1-15(2-4-17)13-18(23)22-11-9-21(10-12-22)14-16-5-7-20-8-6-16;/h1-4,16,20H,5-14H2;1H
InChIKeyJXZATSGQWBINED-UHFFFAOYSA-N
XLogP2.45
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-1-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethanone;hydrochloride
CID 119932156
2-(4-chlorophenyl)-1-[4-(piperidine-4-carbonyl)piperazin-1-yl]ethanone
CID 119287935
2-[4-(aminomethyl)phenyl]-1-[4-(cyclopropylmethyl)piperazin-1-yl]ethanone
CID 63589421
2-(4-aminophenyl)-1-[4-(cyclohexylmethyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119843108
1-(4-chlorophenyl)-4-(piperidin-4-ylmethyl)piperazine;dihydrochloride
CID 119932561
1-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119720804
1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(4-nitrophenyl)ethanone
CID 126799978
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 78806252
2-phenyl-1-[4-(piperidin-3-ylmethyl)piperazin-1-yl]ethanone;hydrochloride
CID 119930059
(2-chloro-6-fluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119930996
2-(4-chlorophenyl)-1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]ethanone
CID 119720794
(2,6-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119931000

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-1-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethanone;hydrochloride (CID 119930221) is 2-(4-chlorophenyl)-1-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-1-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethanone;hydrochloride is Cl.O=C(Cc1ccc(Cl)cc1)N1CCN(CC2CCNCC2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethanone;hydrochloride?
The InChIKey is JXZATSGQWBINED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O.ClH/c19-17-3-1-15(2-4-17)13-18(23)22-11-9-21(10-12-22)14-16-5-7-20-8-6-16;/h1-4,16,20H,5-14H2;1H.
What are the key properties of 2-(4-chlorophenyl)-1-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethanone;hydrochloride?
2-(4-chlorophenyl)-1-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethanone;hydrochloride has a molecular weight of 372.34 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 119930221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).