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

C15H24FN3O — CID 64789983

IUPAC2-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-ol
SMILESCC(N)(CO)CCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C15H24FN3O/c1-15(17,12-20)6-7-18-8-10-19(11-9-18)14-5-3-2-4-13(14)16/h2-5,20H,6-12,17H2,1H3
InChIKeyDPCUJUJALRSSJL-UHFFFAOYSA-N
MW281.37 g/mol
LogP1.05
Rot. Bonds5

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

2-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-ol (PubChem CID 64789983) has the molecular formula C15H24FN3O and a molecular weight of 281.37 g/mol. Its IUPAC name is 2-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-ol
PubChem CID64789983
Molecular FormulaC15H24FN3O
Molecular Weight281.37 g/mol
Exact Mass281.19
IUPAC Name2-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-ol
SMILESCC(N)(CO)CCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C15H24FN3O/c1-15(17,12-20)6-7-18-8-10-19(11-9-18)14-5-3-2-4-13(14)16/h2-5,20H,6-12,17H2,1H3
InChIKeyDPCUJUJALRSSJL-UHFFFAOYSA-N
XLogP1.05
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol
CID 64790760
1-amino-5-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpentan-2-ol
CID 64818951
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
6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-amine
CID 60918157
5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide
CID 123618863
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
6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-2-amine
CID 82852919
(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 93355134
2-[4-(2-fluorophenyl)piperazin-1-yl]acetohydrazide
CID 63570220

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-ol?
The IUPAC name of 2-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-ol (CID 64789983) is 2-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-ol.
What is the SMILES notation for 2-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-ol?
The canonical SMILES for 2-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-ol is CC(N)(CO)CCN1CCN(c2ccccc2F)CC1.
What is the InChIKey of 2-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-ol?
The InChIKey is DPCUJUJALRSSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O/c1-15(17,12-20)6-7-18-8-10-19(11-9-18)14-5-3-2-4-13(14)16/h2-5,20H,6-12,17H2,1H3.
What are the key properties of 2-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-ol?
2-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-ol has a molecular weight of 281.37 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-ol is sourced from PubChem (CID 64789983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).