[3-propan-2-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclobutyl]methanamine

C14H26F3N3 — CID 103562567

IUPAC[3-propan-2-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclobutyl]methanamine
SMILESCC(C)C1CC(CN)(N2CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C14H26F3N3/c1-11(2)12-7-13(8-12,9-18)20-5-3-19(4-6-20)10-14(15,16)17/h11-12H,3-10,18H2,1-2H3
InChIKeySTNMULXDJPWPTL-UHFFFAOYSA-N
MW293.38 g/mol
LogP1.93
Rot. Bonds4

About [3-propan-2-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclobutyl]methanamine

[3-propan-2-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclobutyl]methanamine (PubChem CID 103562567) has the molecular formula C14H26F3N3 and a molecular weight of 293.38 g/mol. Its IUPAC name is [3-propan-2-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[3-propan-2-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclobutyl]methanamine
PubChem CID103562567
Molecular FormulaC14H26F3N3
Molecular Weight293.38 g/mol
Exact Mass293.21
IUPAC Name[3-propan-2-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclobutyl]methanamine
SMILESCC(C)C1CC(CN)(N2CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C14H26F3N3/c1-11(2)12-7-13(8-12,9-18)20-5-3-19(4-6-20)10-14(15,16)17/h11-12H,3-10,18H2,1-2H3
InChIKeySTNMULXDJPWPTL-UHFFFAOYSA-N
XLogP1.93
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Fluoroethyl)-4-(3-propan-2-ylcyclobutyl)piperazine
CID 88917852
(3S,5R)-1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine
CID 117915958
1-Tert-butyl-5-(trifluoromethyl)piperidin-3-amine
CID 117915975
(3R,5S)-1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine
CID 126486283
(3S,5R)-1-(2-methylbutan-2-yl)-5-(trifluoromethyl)piperidin-3-amine
CID 126486342
(3S,5R)-1-(3-methylhexan-3-yl)-5-(trifluoromethyl)piperidin-3-amine
CID 126512606
1-(2-Methylbutan-2-yl)-5-(trifluoromethyl)piperidin-3-amine
CID 130205185
(3S,5R)-1-(2-methylpentan-2-yl)-5-(trifluoromethyl)piperidin-3-amine
CID 130205281
N,4-dimethyl-1-propan-2-yl-5-(trifluoromethyl)piperidin-3-amine
CID 134505351
4-Methyl-1-propan-2-yl-5-(trifluoromethyl)piperidin-3-amine
CID 134505395
(3R,5S)-1-(3-methylhexan-3-yl)-5-(trifluoromethyl)piperidin-3-amine
CID 135213107
1-(3,3-Difluoropiperidin-1-yl)-2,4-dimethylpentan-2-amine
CID 138473303

Frequently Asked Questions

What is the IUPAC name of [3-propan-2-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclobutyl]methanamine?
The IUPAC name of [3-propan-2-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclobutyl]methanamine (CID 103562567) is [3-propan-2-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclobutyl]methanamine.
What is the SMILES notation for [3-propan-2-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclobutyl]methanamine?
The canonical SMILES for [3-propan-2-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclobutyl]methanamine is CC(C)C1CC(CN)(N2CCN(CC(F)(F)F)CC2)C1.
What is the InChIKey of [3-propan-2-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclobutyl]methanamine?
The InChIKey is STNMULXDJPWPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N3/c1-11(2)12-7-13(8-12,9-18)20-5-3-19(4-6-20)10-14(15,16)17/h11-12H,3-10,18H2,1-2H3.
What are the key properties of [3-propan-2-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclobutyl]methanamine?
[3-propan-2-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclobutyl]methanamine has a molecular weight of 293.38 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-propan-2-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclobutyl]methanamine is sourced from PubChem (CID 103562567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).