2-(cyclopropylmethylamino)-1-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanone;dihydrochloride

C16H23Cl2F2N3O — CID 119887886

IUPAC2-(cyclopropylmethylamino)-1-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanone;dihydrochloride
SMILESCl.Cl.O=C(CNCC1CC1)N1CCN(c2cc(F)ccc2F)CC1
InChIInChI=1S/C16H21F2N3O.2ClH/c17-13-3-4-14(18)15(9-13)20-5-7-21(8-6-20)16(22)11-19-10-12-1-2-12;;/h3-4,9,12,19H,1-2,5-8,10-11H2;2*1H
InChIKeyQWWZZQVRANZQRO-UHFFFAOYSA-N
MW382.28 g/mol
LogP2.46
Rot. Bonds5

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

2-(cyclopropylmethylamino)-1-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanone;dihydrochloride (PubChem CID 119887886) has the molecular formula C16H23Cl2F2N3O and a molecular weight of 382.28 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-1-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanone;dihydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-1-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanone;dihydrochloride
PubChem CID119887886
Molecular FormulaC16H23Cl2F2N3O
Molecular Weight382.28 g/mol
Exact Mass381.12
IUPAC Name2-(cyclopropylmethylamino)-1-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanone;dihydrochloride
SMILESCl.Cl.O=C(CNCC1CC1)N1CCN(c2cc(F)ccc2F)CC1
InChIInChI=1S/C16H21F2N3O.2ClH/c17-13-3-4-14(18)15(9-13)20-5-7-21(8-6-20)16(22)11-19-10-12-1-2-12;;/h3-4,9,12,19H,1-2,5-8,10-11H2;2*1H
InChIKeyQWWZZQVRANZQRO-UHFFFAOYSA-N
XLogP2.46
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.28
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119826997
2-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanone
CID 82482185
4-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119887909
2-(cyclopropylmethylamino)-1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]ethanone;hydrochloride
CID 119710361
2-(cyclopropylmethylamino)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 61254430
1-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-(cyclopropylmethylamino)ethanone
CID 119771300
4-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]pentan-1-one;dihydrochloride
CID 120565643
2-(cyclopropylmethylamino)-1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]ethanone
CID 119710362
2-(cyclopropylmethylamino)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone;hydrochloride
CID 119736883
1-[2-(cyclopropylmethylamino)acetyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119768106
2-(4-chlorophenyl)-1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]ethanone
CID 119720794
1-[4-(2,5-difluorophenyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119887880

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-1-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanone;dihydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-1-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanone;dihydrochloride (CID 119887886) is 2-(cyclopropylmethylamino)-1-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanone;dihydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-1-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanone;dihydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-1-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanone;dihydrochloride is Cl.Cl.O=C(CNCC1CC1)N1CCN(c2cc(F)ccc2F)CC1.
What is the InChIKey of 2-(cyclopropylmethylamino)-1-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanone;dihydrochloride?
The InChIKey is QWWZZQVRANZQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3O.2ClH/c17-13-3-4-14(18)15(9-13)20-5-7-21(8-6-20)16(22)11-19-10-12-1-2-12;;/h3-4,9,12,19H,1-2,5-8,10-11H2;2*1H.
What are the key properties of 2-(cyclopropylmethylamino)-1-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanone;dihydrochloride?
2-(cyclopropylmethylamino)-1-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanone;dihydrochloride has a molecular weight of 382.28 g/mol, XLogP of 2.46, 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-(2,5-difluorophenyl)piperazin-1-yl]ethanone;dihydrochloride is sourced from PubChem (CID 119887886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).