1-[(4-fluorophenyl)methyl]-2-propan-2-yl-5-propylpiperazine;dihydrochloride

C17H29Cl2FN2 — CID 146675492

IUPAC1-[(4-fluorophenyl)methyl]-2-propan-2-yl-5-propylpiperazine;dihydrochloride
SMILESCCCC1CN(Cc2ccc(F)cc2)C(C(C)C)CN1.Cl.Cl
InChIInChI=1S/C17H27FN2.2ClH/c1-4-5-16-12-20(17(10-19-16)13(2)3)11-14-6-8-15(18)9-7-14;;/h6-9,13,16-17,19H,4-5,10-12H2,1-3H3;2*1H
InChIKeyLQWZJFORNCOWAK-UHFFFAOYSA-N
MW351.34 g/mol
LogP4.27
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-2-propan-2-yl-5-propylpiperazine;dihydrochloride

1-[(4-fluorophenyl)methyl]-2-propan-2-yl-5-propylpiperazine;dihydrochloride (PubChem CID 146675492) has the molecular formula C17H29Cl2FN2 and a molecular weight of 351.34 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-2-propan-2-yl-5-propylpiperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-2-propan-2-yl-5-propylpiperazine;dihydrochloride
PubChem CID146675492
Molecular FormulaC17H29Cl2FN2
Molecular Weight351.34 g/mol
Exact Mass350.17
IUPAC Name1-[(4-fluorophenyl)methyl]-2-propan-2-yl-5-propylpiperazine;dihydrochloride
SMILESCCCC1CN(Cc2ccc(F)cc2)C(C(C)C)CN1.Cl.Cl
InChIInChI=1S/C17H27FN2.2ClH/c1-4-5-16-12-20(17(10-19-16)13(2)3)11-14-6-8-15(18)9-7-14;;/h6-9,13,16-17,19H,4-5,10-12H2,1-3H3;2*1H
InChIKeyLQWZJFORNCOWAK-UHFFFAOYSA-N
XLogP4.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,5-difluorophenyl)methyl]-2-propan-2-yl-5-propylpiperazine
CID 64839165
1-[(2,6-dichlorophenyl)methyl]-2-propan-2-yl-5-propylpiperazine
CID 64838193
1-[(2-chloro-5-fluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
CID 102620651
1-[(3,4-dimethylphenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
CID 64842124
5-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644843
3-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 106408659
1-(4-fluoro-2-methylphenyl)-2-propan-2-yl-5-propylpiperazine
CID 64932857
1-[(3-ethyl-2-pyridinyl)methyl]-2-propan-2-yl-5-propylpiperazine
CID 82748990
1-[(2,6-difluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
CID 114934592
1-[(5-chloro-2-fluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
CID 103050775
1-octyl-2-propan-2-yl-5-propylpiperazine
CID 64840134
1-(3,3-dimethylbutyl)-2-propan-2-yl-5-propylpiperazine
CID 64838194

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-2-propan-2-yl-5-propylpiperazine;dihydrochloride?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-2-propan-2-yl-5-propylpiperazine;dihydrochloride (CID 146675492) is 1-[(4-fluorophenyl)methyl]-2-propan-2-yl-5-propylpiperazine;dihydrochloride.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-2-propan-2-yl-5-propylpiperazine;dihydrochloride?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-2-propan-2-yl-5-propylpiperazine;dihydrochloride is CCCC1CN(Cc2ccc(F)cc2)C(C(C)C)CN1.Cl.Cl.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-2-propan-2-yl-5-propylpiperazine;dihydrochloride?
The InChIKey is LQWZJFORNCOWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2.2ClH/c1-4-5-16-12-20(17(10-19-16)13(2)3)11-14-6-8-15(18)9-7-14;;/h6-9,13,16-17,19H,4-5,10-12H2,1-3H3;2*1H.
What are the key properties of 1-[(4-fluorophenyl)methyl]-2-propan-2-yl-5-propylpiperazine;dihydrochloride?
1-[(4-fluorophenyl)methyl]-2-propan-2-yl-5-propylpiperazine;dihydrochloride has a molecular weight of 351.34 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-2-propan-2-yl-5-propylpiperazine;dihydrochloride is sourced from PubChem (CID 146675492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).