(2-chloro-6-fluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride

C17H24Cl2FN3O — CID 119930996

IUPAC(2-chloro-6-fluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.O=C(c1c(F)cccc1Cl)N1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C17H23ClFN3O.ClH/c18-14-2-1-3-15(19)16(14)17(23)22-10-8-21(9-11-22)12-13-4-6-20-7-5-13;/h1-3,13,20H,4-12H2;1H
InChIKeyQLPQMYRVWDMEPM-UHFFFAOYSA-N
MW376.30 g/mol
LogP2.66
Rot. Bonds3

About (2-chloro-6-fluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride

(2-chloro-6-fluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 119930996) has the molecular formula C17H24Cl2FN3O and a molecular weight of 376.30 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
PubChem CID119930996
Molecular FormulaC17H24Cl2FN3O
Molecular Weight376.30 g/mol
Exact Mass375.13
IUPAC Name(2-chloro-6-fluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.O=C(c1c(F)cccc1Cl)N1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C17H23ClFN3O.ClH/c18-14-2-1-3-15(19)16(14)17(23)22-10-8-21(9-11-22)12-13-4-6-20-7-5-13;/h1-3,13,20H,4-12H2;1H
InChIKeyQLPQMYRVWDMEPM-UHFFFAOYSA-N
XLogP2.66
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-chloro-6-fluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,6-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119931000
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119307921
(3,4-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119930484
[4-(2,6-difluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 119307957
(3,4-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone
CID 119930485
2-amino-1-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]ethanone;hydrochloride
CID 119307920
(2,6-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119403001
2-(4-chlorophenyl)-1-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethanone;hydrochloride
CID 119930221
(2-chloro-6-fluorophenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119638999
2-(3-chlorophenyl)-1-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethanone;hydrochloride
CID 119932156
3-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981277
(4-bromophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119931058

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of (2-chloro-6-fluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride (CID 119930996) is (2-chloro-6-fluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for (2-chloro-6-fluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride is Cl.O=C(c1c(F)cccc1Cl)N1CCN(CC2CCNCC2)CC1.
What is the InChIKey of (2-chloro-6-fluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is QLPQMYRVWDMEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClFN3O.ClH/c18-14-2-1-3-15(19)16(14)17(23)22-10-8-21(9-11-22)12-13-4-6-20-7-5-13;/h1-3,13,20H,4-12H2;1H.
What are the key properties of (2-chloro-6-fluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride?
(2-chloro-6-fluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 376.30 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119930996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).