[4-(2,5-difluorophenyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride

C15H21Cl2F2N3O2 — CID 119887901

IUPAC[4-(2,5-difluorophenyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
SMILESCl.Cl.O=C(C1CNCCO1)N1CCN(c2cc(F)ccc2F)CC1
InChIInChI=1S/C15H19F2N3O2.2ClH/c16-11-1-2-12(17)13(9-11)19-4-6-20(7-5-19)15(21)14-10-18-3-8-22-14;;/h1-2,9,14,18H,3-8,10H2;2*1H
InChIKeyVSKXGVDRJDUDPB-UHFFFAOYSA-N
MW384.25 g/mol
LogP1.45
Rot. Bonds2

About [4-(2,5-difluorophenyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride

[4-(2,5-difluorophenyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride (PubChem CID 119887901) has the molecular formula C15H21Cl2F2N3O2 and a molecular weight of 384.25 g/mol. Its IUPAC name is [4-(2,5-difluorophenyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name[4-(2,5-difluorophenyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
PubChem CID119887901
Molecular FormulaC15H21Cl2F2N3O2
Molecular Weight384.25 g/mol
Exact Mass383.10
IUPAC Name[4-(2,5-difluorophenyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
SMILESCl.Cl.O=C(C1CNCCO1)N1CCN(c2cc(F)ccc2F)CC1
InChIInChI=1S/C15H19F2N3O2.2ClH/c16-11-1-2-12(17)13(9-11)19-4-6-20(7-5-19)15(21)14-10-18-3-8-22-14;;/h1-2,9,14,18H,3-8,10H2;2*1H
InChIKeyVSKXGVDRJDUDPB-UHFFFAOYSA-N
XLogP1.45
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.25
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
CID 119848066
[4-(2,4-difluorophenoxy)piperidin-1-yl]-morpholin-2-ylmethanone
CID 119736591
[4-(2,5-difluorophenyl)piperazin-1-yl]-morpholin-3-ylmethanone
CID 119887859
[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119747817
[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-morpholin-2-ylmethanone
CID 119696011
[4-(3-methoxyphenyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
CID 119829453
4-fluoro-N-[1-(morpholine-2-carbonyl)piperidin-4-yl]benzenesulfonamide;hydrochloride
CID 119732712
morpholin-2-yl(piperidin-1-yl)methanone;hydrochloride
CID 71298615
[4-(4-methoxyphenyl)piperazin-1-yl]-[(2S)-morpholin-2-yl]methanone
CID 99941257
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-morpholin-2-ylmethanone
CID 119756657
[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-morpholin-2-ylmethanone
CID 70260999
[3-(4-fluorophenoxy)azetidin-1-yl]-[(2R)-morpholin-2-yl]methanone
CID 125177233

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-difluorophenyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride?
The IUPAC name of [4-(2,5-difluorophenyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride (CID 119887901) is [4-(2,5-difluorophenyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride.
What is the SMILES notation for [4-(2,5-difluorophenyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride?
The canonical SMILES for [4-(2,5-difluorophenyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride is Cl.Cl.O=C(C1CNCCO1)N1CCN(c2cc(F)ccc2F)CC1.
What is the InChIKey of [4-(2,5-difluorophenyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride?
The InChIKey is VSKXGVDRJDUDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O2.2ClH/c16-11-1-2-12(17)13(9-11)19-4-6-20(7-5-19)15(21)14-10-18-3-8-22-14;;/h1-2,9,14,18H,3-8,10H2;2*1H.
What are the key properties of [4-(2,5-difluorophenyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride?
[4-(2,5-difluorophenyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride has a molecular weight of 384.25 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-difluorophenyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride is sourced from PubChem (CID 119887901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).