N-ethyl-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-2-amine

C16H26FN3 — CID 62834462

IUPACN-ethyl-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-2-amine
SMILESCCNC(C)(C)CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H26FN3/c1-4-18-16(2,3)13-19-9-11-20(12-10-19)15-8-6-5-7-14(15)17/h5-8,18H,4,9-13H2,1-3H3
InChIKeyJIHVSTHTNPKTCQ-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.34
Rot. Bonds5

About N-ethyl-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-2-amine

N-ethyl-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-2-amine (PubChem CID 62834462) has the molecular formula C16H26FN3 and a molecular weight of 279.40 g/mol. Its IUPAC name is N-ethyl-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-2-amine
PubChem CID62834462
Molecular FormulaC16H26FN3
Molecular Weight279.40 g/mol
Exact Mass279.21
IUPAC NameN-ethyl-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-2-amine
SMILESCCNC(C)(C)CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H26FN3/c1-4-18-16(2,3)13-19-9-11-20(12-10-19)15-8-6-5-7-14(15)17/h5-8,18H,4,9-13H2,1-3H3
InChIKeyJIHVSTHTNPKTCQ-UHFFFAOYSA-N
XLogP2.34
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-(4-benzylpiperazin-1-yl)-N-ethyl-2-methylpropan-2-amine
CID 62835780
2-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-ol
CID 64789983
(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 93355134
N-ethyl-1-(2-fluorophenyl)piperidin-4-amine
CID 43315313
N-(ethylcarbamoyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 27150301
(2R)-1,1,1-trifluoro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 28775333
N-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-amine
CID 62437463
1-amino-5-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpentan-2-ol
CID 64818951
3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol
CID 113343915

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-2-amine?
The IUPAC name of N-ethyl-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-2-amine (CID 62834462) is N-ethyl-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-2-amine.
What is the SMILES notation for N-ethyl-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-2-amine?
The canonical SMILES for N-ethyl-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-2-amine is CCNC(C)(C)CN1CCN(c2ccccc2F)CC1.
What is the InChIKey of N-ethyl-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-2-amine?
The InChIKey is JIHVSTHTNPKTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3/c1-4-18-16(2,3)13-19-9-11-20(12-10-19)15-8-6-5-7-14(15)17/h5-8,18H,4,9-13H2,1-3H3.
What are the key properties of N-ethyl-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-2-amine?
N-ethyl-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-2-amine has a molecular weight of 279.40 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-2-amine is sourced from PubChem (CID 62834462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).