3-(3-fluorophenyl)-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol

C17H27FN2O — CID 10149496

IUPAC3-(3-fluorophenyl)-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol
SMILESCCC(O)(c1cccc(F)c1)C(C)CN1CCN(C)CC1
InChIInChI=1S/C17H27FN2O/c1-4-17(21,15-6-5-7-16(18)12-15)14(2)13-20-10-8-19(3)9-11-20/h5-7,12,14,21H,4,8-11,13H2,1-3H3
InChIKeyYVXXKOIKGRPQNW-UHFFFAOYSA-N
MW294.41 g/mol
LogP2.31
Rot. Bonds5

About 3-(3-fluorophenyl)-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol

3-(3-fluorophenyl)-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol (PubChem CID 10149496) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol.

Molecular Properties

Compound Name3-(3-fluorophenyl)-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol
PubChem CID10149496
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name3-(3-fluorophenyl)-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol
SMILESCCC(O)(c1cccc(F)c1)C(C)CN1CCN(C)CC1
InChIInChI=1S/C17H27FN2O/c1-4-17(21,15-6-5-7-16(18)12-15)14(2)13-20-10-8-19(3)9-11-20/h5-7,12,14,21H,4,8-11,13H2,1-3H3
InChIKeyYVXXKOIKGRPQNW-UHFFFAOYSA-N
XLogP2.31
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol?
The IUPAC name of 3-(3-fluorophenyl)-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol (CID 10149496) is 3-(3-fluorophenyl)-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol.
What is the SMILES notation for 3-(3-fluorophenyl)-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol?
The canonical SMILES for 3-(3-fluorophenyl)-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol is CCC(O)(c1cccc(F)c1)C(C)CN1CCN(C)CC1.
What is the InChIKey of 3-(3-fluorophenyl)-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol?
The InChIKey is YVXXKOIKGRPQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-4-17(21,15-6-5-7-16(18)12-15)14(2)13-20-10-8-19(3)9-11-20/h5-7,12,14,21H,4,8-11,13H2,1-3H3.
What are the key properties of 3-(3-fluorophenyl)-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol?
3-(3-fluorophenyl)-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol has a molecular weight of 294.41 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol is sourced from PubChem (CID 10149496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).