4-[4-(2-fluorophenyl)piperazin-1-yl]-2,3,3-trimethylbutan-2-amine

C17H28FN3 — CID 65267339

IUPAC4-[4-(2-fluorophenyl)piperazin-1-yl]-2,3,3-trimethylbutan-2-amine
SMILESCC(C)(N)C(C)(C)CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C17H28FN3/c1-16(2,17(3,4)19)13-20-9-11-21(12-10-20)15-8-6-5-7-14(15)18/h5-8H,9-13,19H2,1-4H3
InChIKeyOYBBVPKUFRLLAP-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.71
Rot. Bonds4

About 4-[4-(2-fluorophenyl)piperazin-1-yl]-2,3,3-trimethylbutan-2-amine

4-[4-(2-fluorophenyl)piperazin-1-yl]-2,3,3-trimethylbutan-2-amine (PubChem CID 65267339) has the molecular formula C17H28FN3 and a molecular weight of 293.43 g/mol. Its IUPAC name is 4-[4-(2-fluorophenyl)piperazin-1-yl]-2,3,3-trimethylbutan-2-amine.

Molecular Properties

Compound Name4-[4-(2-fluorophenyl)piperazin-1-yl]-2,3,3-trimethylbutan-2-amine
PubChem CID65267339
Molecular FormulaC17H28FN3
Molecular Weight293.43 g/mol
Exact Mass293.23
IUPAC Name4-[4-(2-fluorophenyl)piperazin-1-yl]-2,3,3-trimethylbutan-2-amine
SMILESCC(C)(N)C(C)(C)CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C17H28FN3/c1-16(2,17(3,4)19)13-20-9-11-21(12-10-20)15-8-6-5-7-14(15)18/h5-8H,9-13,19H2,1-4H3
InChIKeyOYBBVPKUFRLLAP-UHFFFAOYSA-N
XLogP2.71
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-amine
CID 60918844
2-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol
CID 64790760
N-ethyl-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-2-amine
CID 62834462
2-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-ol
CID 64789983
2-[4-(2-fluorophenyl)piperazin-1-yl]-3,3-dimethylbutan-1-amine
CID 61325786
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
6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-amine
CID 60918157
(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-2-amine
CID 82852919
2-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-ol
CID 64790373
1-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]cyclobutan-1-amine
CID 81168654

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenyl)piperazin-1-yl]-2,3,3-trimethylbutan-2-amine?
The IUPAC name of 4-[4-(2-fluorophenyl)piperazin-1-yl]-2,3,3-trimethylbutan-2-amine (CID 65267339) is 4-[4-(2-fluorophenyl)piperazin-1-yl]-2,3,3-trimethylbutan-2-amine.
What is the SMILES notation for 4-[4-(2-fluorophenyl)piperazin-1-yl]-2,3,3-trimethylbutan-2-amine?
The canonical SMILES for 4-[4-(2-fluorophenyl)piperazin-1-yl]-2,3,3-trimethylbutan-2-amine is CC(C)(N)C(C)(C)CN1CCN(c2ccccc2F)CC1.
What is the InChIKey of 4-[4-(2-fluorophenyl)piperazin-1-yl]-2,3,3-trimethylbutan-2-amine?
The InChIKey is OYBBVPKUFRLLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN3/c1-16(2,17(3,4)19)13-20-9-11-21(12-10-20)15-8-6-5-7-14(15)18/h5-8H,9-13,19H2,1-4H3.
What are the key properties of 4-[4-(2-fluorophenyl)piperazin-1-yl]-2,3,3-trimethylbutan-2-amine?
4-[4-(2-fluorophenyl)piperazin-1-yl]-2,3,3-trimethylbutan-2-amine has a molecular weight of 293.43 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenyl)piperazin-1-yl]-2,3,3-trimethylbutan-2-amine is sourced from PubChem (CID 65267339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).