[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine

C12H22F3N3 — CID 43362672

IUPAC[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine
SMILESNCC1(N2CCN(CC(F)(F)F)CC2)CCCC1
InChIInChI=1S/C12H22F3N3/c13-12(14,15)10-17-5-7-18(8-6-17)11(9-16)3-1-2-4-11/h1-10,16H2
InChIKeySMPRYTPYBJQEAN-UHFFFAOYSA-N
MW265.32 g/mol
LogP1.44
Rot. Bonds3

About [1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine

[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine (PubChem CID 43362672) has the molecular formula C12H22F3N3 and a molecular weight of 265.32 g/mol. Its IUPAC name is [1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine
PubChem CID43362672
Molecular FormulaC12H22F3N3
Molecular Weight265.32 g/mol
Exact Mass265.18
IUPAC Name[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine
SMILESNCC1(N2CCN(CC(F)(F)F)CC2)CCCC1
InChIInChI=1S/C12H22F3N3/c13-12(14,15)10-17-5-7-18(8-6-17)11(9-16)3-1-2-4-11/h1-10,16H2
InChIKeySMPRYTPYBJQEAN-UHFFFAOYSA-N
XLogP1.44
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methyl-6,9-diazaspiro[4.5]decane
CID 28901865
9-Methyl-6,9-diazaspiro[4.5]decane
CID 52416411
6,9-Diazaspiro[4.5]decane
CID 18975279
(1-Piperidin-1-Ylcyclopentyl)Methylamine
CID 24708164
{1-[4-(Propan-2-yl)piperazin-1-yl]cyclopentyl}methanamine
CID 43585084
3-(Difluoromethyl)-1-ethylpiperidin-3-amine
CID 89364714
[1-(4-Fluoro-1-piperidyl)cyclohexyl]methanamine
CID 117738217
[1-(4,4-Difluoropiperidin-1-yl)cyclohexyl]methanamine
CID 117738681
(4,4-Difluoro-1-piperazin-1-ylcyclohexyl)methanamine
CID 117906736
(3S,5R)-1-(3-methylhexan-3-yl)-5-(trifluoromethyl)piperidin-3-amine
CID 126512606
1-(aminomethyl)-4,4-difluoro-N-pentyl-N-propylcyclohexan-1-amine
CID 134567032
1-(4,4-difluoro-1-piperidin-1-ylcyclohexyl)-N-methylmethanamine
CID 134567171

Frequently Asked Questions

What is the IUPAC name of [1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine?
The IUPAC name of [1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine (CID 43362672) is [1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine.
What is the SMILES notation for [1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine?
The canonical SMILES for [1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine is NCC1(N2CCN(CC(F)(F)F)CC2)CCCC1.
What is the InChIKey of [1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine?
The InChIKey is SMPRYTPYBJQEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3/c13-12(14,15)10-17-5-7-18(8-6-17)11(9-16)3-1-2-4-11/h1-10,16H2.
What are the key properties of [1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine?
[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine has a molecular weight of 265.32 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine is sourced from PubChem (CID 43362672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).