(4-amino-2-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone

C14H23F3N2O — CID 104622517

IUPAC(4-amino-2-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone
SMILESCC1CC(N)CCN1C(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H23F3N2O/c1-9-8-10(18)6-7-19(9)13(20)11-4-2-3-5-12(11)14(15,16)17/h9-12H,2-8,18H2,1H3
InChIKeyCDBNLKFPLSPPAH-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.69
Rot. Bonds1

About (4-amino-2-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone

(4-amino-2-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 104622517) has the molecular formula C14H23F3N2O and a molecular weight of 292.35 g/mol. Its IUPAC name is (4-amino-2-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name(4-amino-2-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone
PubChem CID104622517
Molecular FormulaC14H23F3N2O
Molecular Weight292.35 g/mol
Exact Mass292.18
IUPAC Name(4-amino-2-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone
SMILESCC1CC(N)CCN1C(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H23F3N2O/c1-9-8-10(18)6-7-19(9)13(20)11-4-2-3-5-12(11)14(15,16)17/h9-12H,2-8,18H2,1H3
InChIKeyCDBNLKFPLSPPAH-UHFFFAOYSA-N
XLogP2.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-amino-2-methylpiperidin-1-yl)-(2,2-dimethylcyclohexyl)methanone
CID 107181025
azepan-1-yl-[2-(trifluoromethyl)cyclohexyl]methanone
CID 115583695
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
CID 103857587
2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 4206055
(2-aminocyclohexyl)-(2-methylpiperidin-1-yl)methanone
CID 62775944
[4-(ethylaminomethyl)piperidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
CID 119647074
piperazin-1-yl-[2-(trifluoromethyl)cyclohexyl]methanone;hydrochloride
CID 119402656
1-[(1R,2R)-2-(trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylic acid
CID 97323784
1-[2-(trifluoromethyl)cyclohexanecarbonyl]piperidin-4-one
CID 113343194
[2-(3-chloropropyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
CID 104622730
cis-(1R,2S)-2-(trifluoromethyl)cyclohexane-1-carbonyl fluoride
CID 45081770
(4-amino-2-methylpiperidin-1-yl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 122149103

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of (4-amino-2-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone (CID 104622517) is (4-amino-2-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for (4-amino-2-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for (4-amino-2-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone is CC1CC(N)CCN1C(=O)C1CCCCC1C(F)(F)F.
What is the InChIKey of (4-amino-2-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is CDBNLKFPLSPPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O/c1-9-8-10(18)6-7-19(9)13(20)11-4-2-3-5-12(11)14(15,16)17/h9-12H,2-8,18H2,1H3.
What are the key properties of (4-amino-2-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone?
(4-amino-2-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 292.35 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 104622517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).