2-propyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine

C14H28F3N3 — CID 43362673

IUPAC2-propyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine
SMILESCCCC(CN)(CCC)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H28F3N3/c1-3-5-13(11-18,6-4-2)20-9-7-19(8-10-20)12-14(15,16)17/h3-12,18H2,1-2H3
InChIKeyHCUJUEUZHPNBQW-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.46
Rot. Bonds7

About 2-propyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine

2-propyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine (PubChem CID 43362673) has the molecular formula C14H28F3N3 and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-propyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine.

Molecular Properties

Compound Name2-propyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine
PubChem CID43362673
Molecular FormulaC14H28F3N3
Molecular Weight295.39 g/mol
Exact Mass295.22
IUPAC Name2-propyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine
SMILESCCCC(CN)(CCC)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H28F3N3/c1-3-5-13(11-18,6-4-2)20-9-7-19(8-10-20)12-14(15,16)17/h3-12,18H2,1-2H3
InChIKeyHCUJUEUZHPNBQW-UHFFFAOYSA-N
XLogP2.46
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(Piperidin-1-yl)cyclohexyl]methanamine
CID 398402
9,9-Difluoro-4-methyl-1,4-diazaspiro[5.5]undecane
CID 177801745
9,9-Difluoro-1-methyl-1,4-diazaspiro[5.5]undecane dihydrochloride
CID 177801805
C-[1-(4-Methyl-piperidin-1-yl)-cyclohexyl]-methylamine
CID 9079359
2-Ethyl-2-(3,3,3-trifluoropropyl)piperidine
CID 17919953
N-tert-butyl-2-ethyl-4,4-difluoropiperidin-3-amine
CID 57752961
3-(Difluoromethyl)-1-propan-2-ylpiperidin-3-amine
CID 57886940
N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2-methylpropan-2-amine
CID 59472438
1-(aminomethyl)-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 65377388
3-(Difluoromethyl)-1-ethylpiperidin-3-amine
CID 89364714
[4-(4,4-Difluoropiperidin-1-yl)-1-methylpiperidin-4-yl]methanamine
CID 91387931
1-(aminomethyl)-4,4-difluoro-N,N-dimethylcyclohexan-1-amine
CID 117626887

Frequently Asked Questions

What is the IUPAC name of 2-propyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine?
The IUPAC name of 2-propyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine (CID 43362673) is 2-propyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine.
What is the SMILES notation for 2-propyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine?
The canonical SMILES for 2-propyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine is CCCC(CN)(CCC)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-propyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine?
The InChIKey is HCUJUEUZHPNBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F3N3/c1-3-5-13(11-18,6-4-2)20-9-7-19(8-10-20)12-14(15,16)17/h3-12,18H2,1-2H3.
What are the key properties of 2-propyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine?
2-propyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine has a molecular weight of 295.39 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine is sourced from PubChem (CID 43362673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).