2-cyclobutyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride

C16H22ClFN2O — CID 120736006

IUPAC2-cyclobutyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCl.O=C(CC1CCC1)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C16H21FN2O.ClH/c17-14-6-2-5-13(10-14)15-11-18-7-8-19(15)16(20)9-12-3-1-4-12;/h2,5-6,10,12,15,18H,1,3-4,7-9,11H2;1H
InChIKeyBPCWNRQBHKSQDP-UHFFFAOYSA-N
MW312.82 g/mol
LogP2.91
Rot. Bonds3

About 2-cyclobutyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride

2-cyclobutyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride (PubChem CID 120736006) has the molecular formula C16H22ClFN2O and a molecular weight of 312.82 g/mol. Its IUPAC name is 2-cyclobutyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-cyclobutyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride
PubChem CID120736006
Molecular FormulaC16H22ClFN2O
Molecular Weight312.82 g/mol
Exact Mass312.14
IUPAC Name2-cyclobutyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCl.O=C(CC1CCC1)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C16H21FN2O.ClH/c17-14-6-2-5-13(10-14)15-11-18-7-8-19(15)16(20)9-12-3-1-4-12;/h2,5-6,10,12,15,18H,1,3-4,7-9,11H2;1H
InChIKeyBPCWNRQBHKSQDP-UHFFFAOYSA-N
XLogP2.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,1-dioxothiolan-3-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120737347
N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide;hydrochloride
CID 120737437
2-ethylsulfonyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120736236
1-[2-(3-fluorophenyl)piperazin-1-yl]-3-(oxolan-3-yl)propan-1-one;hydrochloride
CID 120736841
3-ethyl-1-[2-(3-fluorophenyl)piperazin-1-yl]pentan-1-one
CID 120736504
2-(4-fluorophenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120736085
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)sulfanylethanone;hydrochloride
CID 120737545
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(1H-pyrazol-5-yl)ethanone;dihydrochloride
CID 120736155
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120735849
N,N-diethyl-2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethanesulfonamide;hydrochloride
CID 120737225
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 120735990
[2-(3-fluorophenyl)piperazin-1-yl]-(thian-4-yl)methanone;hydrochloride
CID 120737909

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-cyclobutyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride (CID 120736006) is 2-cyclobutyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-cyclobutyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-cyclobutyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride is Cl.O=C(CC1CCC1)N1CCNCC1c1cccc(F)c1.
What is the InChIKey of 2-cyclobutyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride?
The InChIKey is BPCWNRQBHKSQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O.ClH/c17-14-6-2-5-13(10-14)15-11-18-7-8-19(15)16(20)9-12-3-1-4-12;/h2,5-6,10,12,15,18H,1,3-4,7-9,11H2;1H.
What are the key properties of 2-cyclobutyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride?
2-cyclobutyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride has a molecular weight of 312.82 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 120736006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).