[4-(2-fluorophenyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride

C19H26Cl2FN5O — CID 120937676

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
SMILESCl.Cl.O=C(N1CCN(c2ccccc2F)CC1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C19H24FN5O.2ClH/c20-16-4-1-2-5-17(16)23-12-14-24(15-13-23)18(26)19(6-9-21-10-7-19)25-11-3-8-22-25;;/h1-5,8,11,21H,6-7,9-10,12-15H2;2*1H
InChIKeyUNDYOPRBUPWCOI-UHFFFAOYSA-N
MW430.36 g/mol
LogP2.29
Rot. Bonds3

About [4-(2-fluorophenyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride

[4-(2-fluorophenyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride (PubChem CID 120937676) has the molecular formula C19H26Cl2FN5O and a molecular weight of 430.36 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
PubChem CID120937676
Molecular FormulaC19H26Cl2FN5O
Molecular Weight430.36 g/mol
Exact Mass429.15
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
SMILESCl.Cl.O=C(N1CCN(c2ccccc2F)CC1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C19H24FN5O.2ClH/c20-16-4-1-2-5-17(16)23-12-14-24(15-13-23)18(26)19(6-9-21-10-7-19)25-11-3-8-22-25;;/h1-5,8,11,21H,6-7,9-10,12-15H2;2*1H
InChIKeyUNDYOPRBUPWCOI-UHFFFAOYSA-N
XLogP2.29
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

morpholin-4-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120917128
(4-fluorophenyl)-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 120922404
4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-sulfonamide;hydrochloride
CID 120920971
N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120932670
furan-2-yl-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 120917356
[4-(2-fluorophenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone;dihydrochloride
CID 119946055
N,N-diethyl-4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-carboxamide;hydrochloride
CID 120923593
(4-ethyl-4-methylpiperidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120930116
[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 120930215
(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 120930197
[4-(2-fluorophenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone
CID 119946056
[4-(4-methylcyclohexyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120941863

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride (CID 120937676) is [4-(2-fluorophenyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride is Cl.Cl.O=C(N1CCN(c2ccccc2F)CC1)C1(n2cccn2)CCNCC1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride?
The InChIKey is UNDYOPRBUPWCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O.2ClH/c20-16-4-1-2-5-17(16)23-12-14-24(15-13-23)18(26)19(6-9-21-10-7-19)25-11-3-8-22-25;;/h1-5,8,11,21H,6-7,9-10,12-15H2;2*1H.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride?
[4-(2-fluorophenyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride has a molecular weight of 430.36 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride is sourced from PubChem (CID 120937676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).