[1-(4-fluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride

C14H18ClFN2O — CID 119403724

IUPAC[1-(4-fluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride
SMILESCl.O=C(N1CCNCC1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H17FN2O.ClH/c15-12-3-1-11(2-4-12)14(5-6-14)13(18)17-9-7-16-8-10-17;/h1-4,16H,5-10H2;1H
InChIKeyAJPXKDRMFSCCCI-UHFFFAOYSA-N
MW284.76 g/mol
LogP1.71
Rot. Bonds2

About [1-(4-fluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride

[1-(4-fluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride (PubChem CID 119403724) has the molecular formula C14H18ClFN2O and a molecular weight of 284.76 g/mol. Its IUPAC name is [1-(4-fluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[1-(4-fluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride
PubChem CID119403724
Molecular FormulaC14H18ClFN2O
Molecular Weight284.76 g/mol
Exact Mass284.11
IUPAC Name[1-(4-fluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride
SMILESCl.O=C(N1CCNCC1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H17FN2O.ClH/c15-12-3-1-11(2-4-12)14(5-6-14)13(18)17-9-7-16-8-10-17;/h1-4,16H,5-10H2;1H
InChIKeyAJPXKDRMFSCCCI-UHFFFAOYSA-N
XLogP1.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.76
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone
CID 50742286
[1-(4-chlorophenyl)cyclopentyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401297
[1-(4-aminophenyl)cyclopropyl]-(1,4-diazepan-1-yl)methanone
CID 112558251
(1-phenylcyclobutyl)-piperazin-1-ylmethanone
CID 110463899
1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-[1-(4-fluorophenyl)cyclopropyl]methanone
CID 71785139
[1-(3-bromophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401763
1-[1-(4-fluorophenyl)cyclohexanecarbonyl]-1,4-diazepan-5-one
CID 56821181
(1-methyl-4-phenylpiperidin-4-yl)-piperazin-1-ylmethanone
CID 59716936
[1-(4-fluorophenyl)cyclopropyl]-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334418
[1-(4-fluorophenyl)cyclopropyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 103677994
[4-(4-fluorophenyl)oxan-4-yl]-(3-methylpiperazin-1-yl)methanone
CID 119576546
1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-N,N-dimethylpiperidine-4-carboxamide
CID 134062059

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride?
The IUPAC name of [1-(4-fluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride (CID 119403724) is [1-(4-fluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride.
What is the SMILES notation for [1-(4-fluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride?
The canonical SMILES for [1-(4-fluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride is Cl.O=C(N1CCNCC1)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of [1-(4-fluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride?
The InChIKey is AJPXKDRMFSCCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O.ClH/c15-12-3-1-11(2-4-12)14(5-6-14)13(18)17-9-7-16-8-10-17;/h1-4,16H,5-10H2;1H.
What are the key properties of [1-(4-fluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride?
[1-(4-fluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride has a molecular weight of 284.76 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 119403724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).