1-(3-fluoropropyl)-2-(2-methylpropyl)-5-phenylpiperazine

C17H27FN2 — CID 81113963

IUPAC1-(3-fluoropropyl)-2-(2-methylpropyl)-5-phenylpiperazine
SMILESCC(C)CC1CNC(c2ccccc2)CN1CCCF
InChIInChI=1S/C17H27FN2/c1-14(2)11-16-12-19-17(13-20(16)10-6-9-18)15-7-4-3-5-8-15/h3-5,7-8,14,16-17,19H,6,9-13H2,1-2H3
InChIKeyWWUKCYQNVCCLAQ-UHFFFAOYSA-N
MW278.41 g/mol
LogP3.41
Rot. Bonds6

About 1-(3-fluoropropyl)-2-(2-methylpropyl)-5-phenylpiperazine

1-(3-fluoropropyl)-2-(2-methylpropyl)-5-phenylpiperazine (PubChem CID 81113963) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-2-(2-methylpropyl)-5-phenylpiperazine.

Molecular Properties

Compound Name1-(3-fluoropropyl)-2-(2-methylpropyl)-5-phenylpiperazine
PubChem CID81113963
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC Name1-(3-fluoropropyl)-2-(2-methylpropyl)-5-phenylpiperazine
SMILESCC(C)CC1CNC(c2ccccc2)CN1CCCF
InChIInChI=1S/C17H27FN2/c1-14(2)11-16-12-19-17(13-20(16)10-6-9-18)15-7-4-3-5-8-15/h3-5,7-8,14,16-17,19H,6,9-13H2,1-2H3
InChIKeyWWUKCYQNVCCLAQ-UHFFFAOYSA-N
XLogP3.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylpropyl)-1-pentyl-5-phenylpiperazine
CID 64878424
2-ethyl-1-(4-methylpentyl)-5-phenylpiperazine
CID 64939440
1-cyclopentyl-2-(2-methylpropyl)-5-phenylpiperazine
CID 82923611
1-(2-fluoroethyl)-2-methyl-5-phenylpiperazine
CID 80696742
5-methyl-2-(2-methylpropyl)-1-(3-phenylpropyl)piperazine
CID 64845965
2-ethyl-1-(2-methylbutyl)-5-phenylpiperazine
CID 64877650
1-[2-(2-methylpropyl)-5-phenylpiperazin-1-yl]butan-1-one
CID 82250334
2-methyl-1-(3-methyl-2-propan-2-ylbutyl)-5-phenylpiperazine
CID 102908543
1-(2,2-difluoroethyl)-5-phenyl-2-propylpiperazine
CID 64875923
1-(3-methoxypropyl)-5-phenyl-2-propan-2-ylpiperazine
CID 64877844
2-butan-2-yl-1-(3-methoxypropyl)-5-phenylpiperazine
CID 64876502
1-(2-cyclopentylethyl)-2-ethyl-5-phenylpiperazine
CID 64935708

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-2-(2-methylpropyl)-5-phenylpiperazine?
The IUPAC name of 1-(3-fluoropropyl)-2-(2-methylpropyl)-5-phenylpiperazine (CID 81113963) is 1-(3-fluoropropyl)-2-(2-methylpropyl)-5-phenylpiperazine.
What is the SMILES notation for 1-(3-fluoropropyl)-2-(2-methylpropyl)-5-phenylpiperazine?
The canonical SMILES for 1-(3-fluoropropyl)-2-(2-methylpropyl)-5-phenylpiperazine is CC(C)CC1CNC(c2ccccc2)CN1CCCF.
What is the InChIKey of 1-(3-fluoropropyl)-2-(2-methylpropyl)-5-phenylpiperazine?
The InChIKey is WWUKCYQNVCCLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-14(2)11-16-12-19-17(13-20(16)10-6-9-18)15-7-4-3-5-8-15/h3-5,7-8,14,16-17,19H,6,9-13H2,1-2H3.
What are the key properties of 1-(3-fluoropropyl)-2-(2-methylpropyl)-5-phenylpiperazine?
1-(3-fluoropropyl)-2-(2-methylpropyl)-5-phenylpiperazine has a molecular weight of 278.41 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-2-(2-methylpropyl)-5-phenylpiperazine is sourced from PubChem (CID 81113963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).