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

C16H26FN3 — CID 61354158

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-2,3-dimethylbutan-1-amine
SMILESCC(C)C(C)(CN)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H26FN3/c1-13(2)16(3,12-18)20-10-8-19(9-11-20)15-6-4-14(17)5-7-15/h4-7,13H,8-12,18H2,1-3H3
InChIKeyYUYNHZYCJFMZJR-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.32
Rot. Bonds4

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

2-[4-(4-fluorophenyl)piperazin-1-yl]-2,3-dimethylbutan-1-amine (PubChem CID 61354158) has the molecular formula C16H26FN3 and a molecular weight of 279.40 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-2,3-dimethylbutan-1-amine
PubChem CID61354158
Molecular FormulaC16H26FN3
Molecular Weight279.40 g/mol
Exact Mass279.21
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-2,3-dimethylbutan-1-amine
SMILESCC(C)C(C)(CN)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H26FN3/c1-13(2)16(3,12-18)20-10-8-19(9-11-20)15-6-4-14(17)5-7-15/h4-7,13H,8-12,18H2,1-3H3
InChIKeyYUYNHZYCJFMZJR-UHFFFAOYSA-N
XLogP2.32
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-chlorophenyl)piperazin-1-yl]-2,3-dimethylbutan-1-amine
CID 61351960
3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-amine
CID 79414716
ethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine
CID 144656780
2-methyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine
CID 63339792
2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-amine
CID 9161464
2-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-amine
CID 43135337
2-amino-2-cyclopropyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 60867515
methyl 3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropanoate
CID 43398425
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methoxypropan-2-amine
CID 81101377
3-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 64685927
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpropan-1-amine
CID 62425501
methyl 3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylbutanoate
CID 79413715

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-2,3-dimethylbutan-1-amine?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-2,3-dimethylbutan-1-amine (CID 61354158) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-2,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-2,3-dimethylbutan-1-amine?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-2,3-dimethylbutan-1-amine is CC(C)C(C)(CN)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-2,3-dimethylbutan-1-amine?
The InChIKey is YUYNHZYCJFMZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3/c1-13(2)16(3,12-18)20-10-8-19(9-11-20)15-6-4-14(17)5-7-15/h4-7,13H,8-12,18H2,1-3H3.
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-2,3-dimethylbutan-1-amine?
2-[4-(4-fluorophenyl)piperazin-1-yl]-2,3-dimethylbutan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 61354158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).