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

C16H26FN3 — CID 61325786

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)C(CN)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H26FN3/c1-16(2,3)15(12-18)20-10-8-19(9-11-20)14-7-5-4-6-13(14)17/h4-7,15H,8-12,18H2,1-3H3
InChIKeyOESFZNRIPTUBIC-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.32
Rot. Bonds3

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

2-[4-(2-fluorophenyl)piperazin-1-yl]-3,3-dimethylbutan-1-amine (PubChem CID 61325786) has the molecular formula C16H26FN3 and a molecular weight of 279.40 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]-3,3-dimethylbutan-1-amine
PubChem CID61325786
Molecular FormulaC16H26FN3
Molecular Weight279.40 g/mol
Exact Mass279.21
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)C(CN)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H26FN3/c1-16(2,3)15(12-18)20-10-8-19(9-11-20)14-7-5-4-6-13(14)17/h4-7,15H,8-12,18H2,1-3H3
InChIKeyOESFZNRIPTUBIC-UHFFFAOYSA-N
XLogP2.32
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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-(2-fluorophenyl)piperazin-1-yl]-3-methylpentan-1-amine
CID 60917598
2-[4-(2-chlorophenyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-amine
CID 43752689
4-[4-(2-fluorophenyl)piperazin-1-yl]-2,3,3-trimethylbutan-2-amine
CID 65267339
4-ethylsulfanyl-2-[4-(2-fluorophenyl)piperazin-1-yl]butan-1-amine
CID 116504002
2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethanamine
CID 45496819
1-[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazine
CID 857913
4-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylbutanamide
CID 66428406
methyl 2-[4-(2-fluorophenyl)piperazin-1-yl]propanoate
CID 51074732
2-[4-(2-fluorophenyl)piperazin-1-yl]pentan-3-one
CID 64868635
2-cyclopropyl-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-amine
CID 60918844
N-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-amine
CID 62437463
2-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol
CID 64790760

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-3,3-dimethylbutan-1-amine?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-3,3-dimethylbutan-1-amine (CID 61325786) is 2-[4-(2-fluorophenyl)piperazin-1-yl]-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]-3,3-dimethylbutan-1-amine?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]-3,3-dimethylbutan-1-amine is CC(C)(C)C(CN)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]-3,3-dimethylbutan-1-amine?
The InChIKey is OESFZNRIPTUBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3/c1-16(2,3)15(12-18)20-10-8-19(9-11-20)14-7-5-4-6-13(14)17/h4-7,15H,8-12,18H2,1-3H3.
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]-3,3-dimethylbutan-1-amine?
2-[4-(2-fluorophenyl)piperazin-1-yl]-3,3-dimethylbutan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 61325786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).