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

C15H18Cl2F2N2O — CID 120738675

IUPAC[2-(2-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride
SMILESCl.O=C(C1CC(F)(F)C1)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C15H17ClF2N2O.ClH/c16-12-4-2-1-3-11(12)13-9-19-5-6-20(13)14(21)10-7-15(17,18)8-10;/h1-4,10,13,19H,5-9H2;1H
InChIKeyMTPWFYDPBUICRJ-UHFFFAOYSA-N
MW351.22 g/mol
LogP3.28
Rot. Bonds2

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

[2-(2-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride (PubChem CID 120738675) has the molecular formula C15H18Cl2F2N2O and a molecular weight of 351.22 g/mol. Its IUPAC name is [2-(2-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(2-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride
PubChem CID120738675
Molecular FormulaC15H18Cl2F2N2O
Molecular Weight351.22 g/mol
Exact Mass350.08
IUPAC Name[2-(2-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride
SMILESCl.O=C(C1CC(F)(F)C1)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C15H17ClF2N2O.ClH/c16-12-4-2-1-3-11(12)13-9-19-5-6-20(13)14(21)10-7-15(17,18)8-10;/h1-4,10,13,19H,5-9H2;1H
InChIKeyMTPWFYDPBUICRJ-UHFFFAOYSA-N
XLogP3.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-chlorophenyl)piperazin-1-yl]-cyclopentylmethanone
CID 120739912
[2-(3-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone
CID 120802294
4-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one
CID 120739774
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 120739225
[2-(2-chlorophenyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone;hydrochloride
CID 120738665
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-ethylbutan-1-one;hydrochloride
CID 120739465
[2-(2-chlorophenyl)piperazin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 120738818
1-[3-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone;hydrochloride
CID 120739391
[2-(2-chlorophenyl)piperazin-1-yl]-[2-(2,3-difluorophenyl)cyclopropyl]methanone;hydrochloride
CID 120738408
(2S,5R)-5-[2-(2-chlorophenyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid
CID 136589492
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 120739628
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one;hydrochloride
CID 120738310

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride?
The IUPAC name of [2-(2-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride (CID 120738675) is [2-(2-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride.
What is the SMILES notation for [2-(2-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride?
The canonical SMILES for [2-(2-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride is Cl.O=C(C1CC(F)(F)C1)N1CCNCC1c1ccccc1Cl.
What is the InChIKey of [2-(2-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride?
The InChIKey is MTPWFYDPBUICRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF2N2O.ClH/c16-12-4-2-1-3-11(12)13-9-19-5-6-20(13)14(21)10-7-15(17,18)8-10;/h1-4,10,13,19H,5-9H2;1H.
What are the key properties of [2-(2-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride?
[2-(2-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride has a molecular weight of 351.22 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride is sourced from PubChem (CID 120738675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).