2-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol

C14H22FN3O — CID 64790760

IUPAC2-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol
SMILESCC(N)(CO)CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C14H22FN3O/c1-14(16,11-19)10-17-6-8-18(9-7-17)13-5-3-2-4-12(13)15/h2-5,19H,6-11,16H2,1H3
InChIKeyZBOZVUUECDJFNH-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.66
Rot. Bonds4

About 2-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol

2-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol (PubChem CID 64790760) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol
PubChem CID64790760
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name2-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol
SMILESCC(N)(CO)CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C14H22FN3O/c1-14(16,11-19)10-17-6-8-18(9-7-17)13-5-3-2-4-12(13)15/h2-5,19H,6-11,16H2,1H3
InChIKeyZBOZVUUECDJFNH-UHFFFAOYSA-N
XLogP0.66
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-ol
CID 64789983
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
N-ethyl-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-2-amine
CID 62834462
3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol
CID 113343915
2-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-ol
CID 64790373
1-amino-5-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpentan-2-ol
CID 64818951
(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 93355134
(2R)-1,1,1-trifluoro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 28775333
6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-amine
CID 60918157
5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide
CID 123618863
2-[4-(2-fluorophenyl)piperazin-1-yl]-3,3-dimethylbutan-1-amine
CID 61325786

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol?
The IUPAC name of 2-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol (CID 64790760) is 2-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol?
The canonical SMILES for 2-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol is CC(N)(CO)CN1CCN(c2ccccc2F)CC1.
What is the InChIKey of 2-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol?
The InChIKey is ZBOZVUUECDJFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-14(16,11-19)10-17-6-8-18(9-7-17)13-5-3-2-4-12(13)15/h2-5,19H,6-11,16H2,1H3.
What are the key properties of 2-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol?
2-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol has a molecular weight of 267.35 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 64790760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).