1-[(2,3-difluorophenyl)methyl]-4-pyrrolidin-3-ylpiperazine;dihydrochloride

C15H23Cl2F2N3 — CID 154900689

IUPAC1-[(2,3-difluorophenyl)methyl]-4-pyrrolidin-3-ylpiperazine;dihydrochloride
SMILESCl.Cl.Fc1cccc(CN2CCN(C3CCNC3)CC2)c1F
InChIInChI=1S/C15H21F2N3.2ClH/c16-14-3-1-2-12(15(14)17)11-19-6-8-20(9-7-19)13-4-5-18-10-13;;/h1-3,13,18H,4-11H2;2*1H
InChIKeyXZUUBRJVGXLFAZ-UHFFFAOYSA-N
MW354.27 g/mol
LogP2.29
Rot. Bonds3

About 1-[(2,3-difluorophenyl)methyl]-4-pyrrolidin-3-ylpiperazine;dihydrochloride

1-[(2,3-difluorophenyl)methyl]-4-pyrrolidin-3-ylpiperazine;dihydrochloride (PubChem CID 154900689) has the molecular formula C15H23Cl2F2N3 and a molecular weight of 354.27 g/mol. Its IUPAC name is 1-[(2,3-difluorophenyl)methyl]-4-pyrrolidin-3-ylpiperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(2,3-difluorophenyl)methyl]-4-pyrrolidin-3-ylpiperazine;dihydrochloride
PubChem CID154900689
Molecular FormulaC15H23Cl2F2N3
Molecular Weight354.27 g/mol
Exact Mass353.12
IUPAC Name1-[(2,3-difluorophenyl)methyl]-4-pyrrolidin-3-ylpiperazine;dihydrochloride
SMILESCl.Cl.Fc1cccc(CN2CCN(C3CCNC3)CC2)c1F
InChIInChI=1S/C15H21F2N3.2ClH/c16-14-3-1-2-12(15(14)17)11-19-6-8-20(9-7-19)13-4-5-18-10-13;;/h1-3,13,18H,4-11H2;2*1H
InChIKeyXZUUBRJVGXLFAZ-UHFFFAOYSA-N
XLogP2.29
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyrrolidin-3-yl-4-[[2-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 154900642
1-[(2,3-difluorophenyl)methyl]azetidine
CID 126989798
1-[(2,3-difluorophenyl)methyl]-2-methylpiperazine;hydrochloride
CID 119916613
1-cyclopentyl-4-[(2-fluorophenyl)methyl]piperazine
CID 740956
1-[(2,3-difluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 54923675
9-[(2,6-difluorophenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 120966790
1-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119922702
1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-pyrrolidin-3-ylpiperazine
CID 74245091
1-[(2,3-difluorophenyl)methyl]-4-propan-2-ylpiperazine
CID 170657560
1-[(5-chlorothiophen-2-yl)methyl]-4-[(3R)-pyrrolidin-3-yl]piperazine
CID 125118001
3-[3-oxo-4-[(4-pyrrolidin-3-ylpiperazin-1-yl)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167740666
1-[(2,3-difluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 75470128

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-difluorophenyl)methyl]-4-pyrrolidin-3-ylpiperazine;dihydrochloride?
The IUPAC name of 1-[(2,3-difluorophenyl)methyl]-4-pyrrolidin-3-ylpiperazine;dihydrochloride (CID 154900689) is 1-[(2,3-difluorophenyl)methyl]-4-pyrrolidin-3-ylpiperazine;dihydrochloride.
What is the SMILES notation for 1-[(2,3-difluorophenyl)methyl]-4-pyrrolidin-3-ylpiperazine;dihydrochloride?
The canonical SMILES for 1-[(2,3-difluorophenyl)methyl]-4-pyrrolidin-3-ylpiperazine;dihydrochloride is Cl.Cl.Fc1cccc(CN2CCN(C3CCNC3)CC2)c1F.
What is the InChIKey of 1-[(2,3-difluorophenyl)methyl]-4-pyrrolidin-3-ylpiperazine;dihydrochloride?
The InChIKey is XZUUBRJVGXLFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3.2ClH/c16-14-3-1-2-12(15(14)17)11-19-6-8-20(9-7-19)13-4-5-18-10-13;;/h1-3,13,18H,4-11H2;2*1H.
What are the key properties of 1-[(2,3-difluorophenyl)methyl]-4-pyrrolidin-3-ylpiperazine;dihydrochloride?
1-[(2,3-difluorophenyl)methyl]-4-pyrrolidin-3-ylpiperazine;dihydrochloride has a molecular weight of 354.27 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-difluorophenyl)methyl]-4-pyrrolidin-3-ylpiperazine;dihydrochloride is sourced from PubChem (CID 154900689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).