1-amino-5-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpentan-2-ol

C16H26FN3O — CID 64818951

IUPAC1-amino-5-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpentan-2-ol
SMILESCC(O)(CN)CCCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H26FN3O/c1-16(21,13-18)7-4-8-19-9-11-20(12-10-19)15-6-3-2-5-14(15)17/h2-3,5-6,21H,4,7-13,18H2,1H3
InChIKeyCJYNOISBNZUOHD-UHFFFAOYSA-N
MW295.40 g/mol
LogP1.44
Rot. Bonds6

About 1-amino-5-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpentan-2-ol

1-amino-5-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpentan-2-ol (PubChem CID 64818951) has the molecular formula C16H26FN3O and a molecular weight of 295.40 g/mol. Its IUPAC name is 1-amino-5-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-amino-5-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpentan-2-ol
PubChem CID64818951
Molecular FormulaC16H26FN3O
Molecular Weight295.40 g/mol
Exact Mass295.21
IUPAC Name1-amino-5-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpentan-2-ol
SMILESCC(O)(CN)CCCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H26FN3O/c1-16(21,13-18)7-4-8-19-9-11-20(12-10-19)15-6-3-2-5-14(15)17/h2-3,5-6,21H,4,7-13,18H2,1H3
InChIKeyCJYNOISBNZUOHD-UHFFFAOYSA-N
XLogP1.44
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-amino-5-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-amine
CID 60918157
2-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-ol
CID 64789983
1-amino-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylbutan-2-ol
CID 64819623
5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide
CID 123618863
6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-2-amine
CID 82852919
4-[4-(2-fluorophenyl)piperazin-1-yl]butanoic acid
CID 20994315
5-[4-(2-fluorophenyl)piperazin-1-yl]-N'-hydroxypentanimidamide
CID 76905940
N'-tert-butyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390044
2-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol
CID 64790760
4-[4-(2-fluorophenyl)piperazin-1-yl]-2,3,3-trimethylbutan-2-amine
CID 65267339
2-cyclopropyl-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-amine
CID 60918844
1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 47520387

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpentan-2-ol?
The IUPAC name of 1-amino-5-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpentan-2-ol (CID 64818951) is 1-amino-5-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpentan-2-ol.
What is the SMILES notation for 1-amino-5-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpentan-2-ol?
The canonical SMILES for 1-amino-5-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpentan-2-ol is CC(O)(CN)CCCN1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-amino-5-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpentan-2-ol?
The InChIKey is CJYNOISBNZUOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O/c1-16(21,13-18)7-4-8-19-9-11-20(12-10-19)15-6-3-2-5-14(15)17/h2-3,5-6,21H,4,7-13,18H2,1H3.
What are the key properties of 1-amino-5-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpentan-2-ol?
1-amino-5-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpentan-2-ol has a molecular weight of 295.40 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpentan-2-ol is sourced from PubChem (CID 64818951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).