2-[[5-chloro-2-(difluoromethoxy)phenyl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride

C15H21Cl2F2N3O2 — CID 119915440

IUPAC2-[[5-chloro-2-(difluoromethoxy)phenyl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
SMILESCN(CC(=O)N1CCNCC1)Cc1cc(Cl)ccc1OC(F)F.Cl
InChIInChI=1S/C15H20ClF2N3O2.ClH/c1-20(10-14(22)21-6-4-19-5-7-21)9-11-8-12(16)2-3-13(11)23-15(17)18;/h2-3,8,15,19H,4-7,9-10H2,1H3;1H
InChIKeyGJDSAAQIQPPKDV-UHFFFAOYSA-N
MW384.25 g/mol
LogP2.23
Rot. Bonds6

About 2-[[5-chloro-2-(difluoromethoxy)phenyl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride

2-[[5-chloro-2-(difluoromethoxy)phenyl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride (PubChem CID 119915440) has the molecular formula C15H21Cl2F2N3O2 and a molecular weight of 384.25 g/mol. Its IUPAC name is 2-[[5-chloro-2-(difluoromethoxy)phenyl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-[[5-chloro-2-(difluoromethoxy)phenyl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
PubChem CID119915440
Molecular FormulaC15H21Cl2F2N3O2
Molecular Weight384.25 g/mol
Exact Mass383.10
IUPAC Name2-[[5-chloro-2-(difluoromethoxy)phenyl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
SMILESCN(CC(=O)N1CCNCC1)Cc1cc(Cl)ccc1OC(F)F.Cl
InChIInChI=1S/C15H20ClF2N3O2.ClH/c1-20(10-14(22)21-6-4-19-5-7-21)9-11-8-12(16)2-3-13(11)23-15(17)18;/h2-3,8,15,19H,4-7,9-10H2,1H3;1H
InChIKeyGJDSAAQIQPPKDV-UHFFFAOYSA-N
XLogP2.23
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 120835879
2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 61018400
2-[(2-bromo-5-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 61017528
2-[(4-fluoro-2-methylphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 62134144
methyl 3-[[5-chloro-2-(difluoromethoxy)phenyl]methyl-methylamino]-2-methylpropanoate
CID 60965747
1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1,4-diazepane
CID 43162436
2-[(2-ethyl-4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 120836001
2-[(2-ethyl-6-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 120835994
2-[2-(3-chlorophenoxy)ethyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915397
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 9137227
2-(4-chlorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119454929
2-[[5-chloro-2-(difluoromethoxy)phenyl]methyl-methylamino]propanoic acid
CID 62639812

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-(difluoromethoxy)phenyl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride?
The IUPAC name of 2-[[5-chloro-2-(difluoromethoxy)phenyl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride (CID 119915440) is 2-[[5-chloro-2-(difluoromethoxy)phenyl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride.
What is the SMILES notation for 2-[[5-chloro-2-(difluoromethoxy)phenyl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride?
The canonical SMILES for 2-[[5-chloro-2-(difluoromethoxy)phenyl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride is CN(CC(=O)N1CCNCC1)Cc1cc(Cl)ccc1OC(F)F.Cl.
What is the InChIKey of 2-[[5-chloro-2-(difluoromethoxy)phenyl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride?
The InChIKey is GJDSAAQIQPPKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClF2N3O2.ClH/c1-20(10-14(22)21-6-4-19-5-7-21)9-11-8-12(16)2-3-13(11)23-15(17)18;/h2-3,8,15,19H,4-7,9-10H2,1H3;1H.
What are the key properties of 2-[[5-chloro-2-(difluoromethoxy)phenyl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride?
2-[[5-chloro-2-(difluoromethoxy)phenyl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride has a molecular weight of 384.25 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-(difluoromethoxy)phenyl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride is sourced from PubChem (CID 119915440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).