N-(2-fluoroethyl)-2-(4-propan-2-ylpiperazin-1-yl)propan-2-amine

C12H26FN3 — CID 126486742

IUPACN-(2-fluoroethyl)-2-(4-propan-2-ylpiperazin-1-yl)propan-2-amine
SMILESCC(C)N1CCN(C(C)(C)NCCF)CC1
InChIInChI=1S/C12H26FN3/c1-11(2)15-7-9-16(10-8-15)12(3,4)14-6-5-13/h11,14H,5-10H2,1-4H3
InChIKeyVRVFUCIESITELP-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.31
Rot. Bonds5

About N-(2-fluoroethyl)-2-(4-propan-2-ylpiperazin-1-yl)propan-2-amine

N-(2-fluoroethyl)-2-(4-propan-2-ylpiperazin-1-yl)propan-2-amine (PubChem CID 126486742) has the molecular formula C12H26FN3 and a molecular weight of 231.36 g/mol. Its IUPAC name is N-(2-fluoroethyl)-2-(4-propan-2-ylpiperazin-1-yl)propan-2-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-2-(4-propan-2-ylpiperazin-1-yl)propan-2-amine
PubChem CID126486742
Molecular FormulaC12H26FN3
Molecular Weight231.36 g/mol
Exact Mass231.21
IUPAC NameN-(2-fluoroethyl)-2-(4-propan-2-ylpiperazin-1-yl)propan-2-amine
SMILESCC(C)N1CCN(C(C)(C)NCCF)CC1
InChIInChI=1S/C12H26FN3/c1-11(2)15-7-9-16(10-8-15)12(3,4)14-6-5-13/h11,14H,5-10H2,1-4H3
InChIKeyVRVFUCIESITELP-UHFFFAOYSA-N
XLogP1.31
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(4-propan-2-ylpiperazin-1-yl)propan-1-amine
CID 43585088
N-(2-(18F)fluoroethyl)-2-methylpropan-2-amine
CID 166005414
1-propan-2-yl-4-(trifluoromethyl)-1,4-diazepane
CID 155312343
1-tert-butyl-4,7-dimethyl-1,4,7-triazonane;1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane
CID 158395030
1-(2,4,4,6,6-pentamethylheptan-2-yl)-4-propan-2-ylpiperazine
CID 167181196
1-(1,2-difluoropropyl)-4-(trifluoromethyl)piperazine
CID 155217298
2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 80693739
1-(2,7-dimethyloct-5-en-2-yl)-4-propan-2-ylpiperazine
CID 167599517
1-tert-butyl-2,2,3,3-tetradeuterio-4-propan-2-ylpiperazine
CID 177304576
1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane
CID 157390684
1-methyl-4-propan-2-ylpiperazine
CID 7471963
1-[1-(2,2-dimethylpropyl)azetidin-3-yl]-4-propan-2-ylpiperazine
CID 146180125

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-2-(4-propan-2-ylpiperazin-1-yl)propan-2-amine?
The IUPAC name of N-(2-fluoroethyl)-2-(4-propan-2-ylpiperazin-1-yl)propan-2-amine (CID 126486742) is N-(2-fluoroethyl)-2-(4-propan-2-ylpiperazin-1-yl)propan-2-amine.
What is the SMILES notation for N-(2-fluoroethyl)-2-(4-propan-2-ylpiperazin-1-yl)propan-2-amine?
The canonical SMILES for N-(2-fluoroethyl)-2-(4-propan-2-ylpiperazin-1-yl)propan-2-amine is CC(C)N1CCN(C(C)(C)NCCF)CC1.
What is the InChIKey of N-(2-fluoroethyl)-2-(4-propan-2-ylpiperazin-1-yl)propan-2-amine?
The InChIKey is VRVFUCIESITELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26FN3/c1-11(2)15-7-9-16(10-8-15)12(3,4)14-6-5-13/h11,14H,5-10H2,1-4H3.
What are the key properties of N-(2-fluoroethyl)-2-(4-propan-2-ylpiperazin-1-yl)propan-2-amine?
N-(2-fluoroethyl)-2-(4-propan-2-ylpiperazin-1-yl)propan-2-amine has a molecular weight of 231.36 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-2-(4-propan-2-ylpiperazin-1-yl)propan-2-amine is sourced from PubChem (CID 126486742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).