(3-aminocyclohexyl)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone;dihydrochloride

C14H26Cl2F3N3O — CID 119899892

IUPAC(3-aminocyclohexyl)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone;dihydrochloride
SMILESCC(N1CCN(C(=O)C2CCCC(N)C2)CC1)C(F)(F)F.Cl.Cl
InChIInChI=1S/C14H24F3N3O.2ClH/c1-10(14(15,16)17)19-5-7-20(8-6-19)13(21)11-3-2-4-12(18)9-11;;/h10-12H,2-9,18H2,1H3;2*1H
InChIKeyRBUMJGSCGHXYGG-UHFFFAOYSA-N
MW380.28 g/mol
LogP2.44
Rot. Bonds2

About (3-aminocyclohexyl)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone;dihydrochloride

(3-aminocyclohexyl)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone;dihydrochloride (PubChem CID 119899892) has the molecular formula C14H26Cl2F3N3O and a molecular weight of 380.28 g/mol. Its IUPAC name is (3-aminocyclohexyl)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(3-aminocyclohexyl)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone;dihydrochloride
PubChem CID119899892
Molecular FormulaC14H26Cl2F3N3O
Molecular Weight380.28 g/mol
Exact Mass379.14
IUPAC Name(3-aminocyclohexyl)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone;dihydrochloride
SMILESCC(N1CCN(C(=O)C2CCCC(N)C2)CC1)C(F)(F)F.Cl.Cl
InChIInChI=1S/C14H24F3N3O.2ClH/c1-10(14(15,16)17)19-5-7-20(8-6-19)13(21)11-3-2-4-12(18)9-11;;/h10-12H,2-9,18H2,1H3;2*1H
InChIKeyRBUMJGSCGHXYGG-UHFFFAOYSA-N
XLogP2.44
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119399092
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CID 119669540
[(1R,3S)-3-aminocyclohexyl]-(4-fluoropiperidin-1-yl)methanone;hydrochloride
CID 154910496
(3-aminocyclohexyl)-(azepan-1-yl)methanone
CID 62777003
(3-aminocyclohexyl)-(4-cyclobutylpiperazin-1-yl)methanone;dihydrochloride
CID 119887153
(3-aminocyclohexyl)-(4-methylazepan-1-yl)methanone;hydrochloride
CID 119756366
[(1R,3S)-3-aminocyclohexyl]-(4-hydroxypiperidin-1-yl)methanone
CID 59401514
[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119755471
1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylic acid
CID 63046092
(3-aminocyclohexyl)-morpholin-4-ylmethanone
CID 62775770
(3-aminocyclohexyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 63046105
(3-aminocyclohexyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 55134344

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclohexyl)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone;dihydrochloride?
The IUPAC name of (3-aminocyclohexyl)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone;dihydrochloride (CID 119899892) is (3-aminocyclohexyl)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for (3-aminocyclohexyl)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone;dihydrochloride?
The canonical SMILES for (3-aminocyclohexyl)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone;dihydrochloride is CC(N1CCN(C(=O)C2CCCC(N)C2)CC1)C(F)(F)F.Cl.Cl.
What is the InChIKey of (3-aminocyclohexyl)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone;dihydrochloride?
The InChIKey is RBUMJGSCGHXYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3O.2ClH/c1-10(14(15,16)17)19-5-7-20(8-6-19)13(21)11-3-2-4-12(18)9-11;;/h10-12H,2-9,18H2,1H3;2*1H.
What are the key properties of (3-aminocyclohexyl)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone;dihydrochloride?
(3-aminocyclohexyl)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone;dihydrochloride has a molecular weight of 380.28 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclohexyl)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119899892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).