2-(cyclopropylmethylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone;dihydrochloride

C16H24Cl2FN3O — CID 119826997

IUPAC2-(cyclopropylmethylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone;dihydrochloride
SMILESCl.Cl.O=C(CNCC1CC1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H22FN3O.2ClH/c17-14-3-1-2-4-15(14)19-7-9-20(10-8-19)16(21)12-18-11-13-5-6-13;;/h1-4,13,18H,5-12H2;2*1H
InChIKeyDYKBCGAXGZSJAQ-UHFFFAOYSA-N
MW364.29 g/mol
LogP2.32
Rot. Bonds5

About 2-(cyclopropylmethylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone;dihydrochloride

2-(cyclopropylmethylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone;dihydrochloride (PubChem CID 119826997) has the molecular formula C16H24Cl2FN3O and a molecular weight of 364.29 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone;dihydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone;dihydrochloride
PubChem CID119826997
Molecular FormulaC16H24Cl2FN3O
Molecular Weight364.29 g/mol
Exact Mass363.13
IUPAC Name2-(cyclopropylmethylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone;dihydrochloride
SMILESCl.Cl.O=C(CNCC1CC1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H22FN3O.2ClH/c17-14-3-1-2-4-15(14)19-7-9-20(10-8-19)16(21)12-18-11-13-5-6-13;;/h1-4,13,18H,5-12H2;2*1H
InChIKeyDYKBCGAXGZSJAQ-UHFFFAOYSA-N
XLogP2.32
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.29
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylamino)-1-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119887886
2-(cyclopropylmethylamino)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 61254430
4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazolidine-3,5-dione
CID 110703277
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(2,3,4-trifluoroanilino)ethanone
CID 109004504
N-(cyclopropylmethyl)-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]piperidine-3-carboxamide
CID 60512609
1-(4-benzylpiperazin-1-yl)-2-(cyclopropylmethylamino)ethanone;dihydrochloride
CID 119826750
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-phenylurea
CID 42156451
4-fluoro-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 26590726
methyl 4-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]amino]benzoate
CID 109004477
benzyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]carbamate
CID 16748952
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methoxyanilino)ethanone
CID 109004460
2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone
CID 7328592

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone;dihydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone;dihydrochloride (CID 119826997) is 2-(cyclopropylmethylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone;dihydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone;dihydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone;dihydrochloride is Cl.Cl.O=C(CNCC1CC1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 2-(cyclopropylmethylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone;dihydrochloride?
The InChIKey is DYKBCGAXGZSJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O.2ClH/c17-14-3-1-2-4-15(14)19-7-9-20(10-8-19)16(21)12-18-11-13-5-6-13;;/h1-4,13,18H,5-12H2;2*1H.
What are the key properties of 2-(cyclopropylmethylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone;dihydrochloride?
2-(cyclopropylmethylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone;dihydrochloride has a molecular weight of 364.29 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone;dihydrochloride is sourced from PubChem (CID 119826997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).