[1-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine

C14H25F3N2 — CID 64755486

IUPAC[1-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine
SMILESCC1CCCN(C2(CN)CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C14H25F3N2/c1-11-3-2-8-19(9-11)13(10-18)6-4-12(5-7-13)14(15,16)17/h11-12H,2-10,18H2,1H3
InChIKeyUWBMWRDDLHVMML-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.17
Rot. Bonds2

About [1-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine

[1-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 64755486) has the molecular formula C14H25F3N2 and a molecular weight of 278.36 g/mol. Its IUPAC name is [1-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID64755486
Molecular FormulaC14H25F3N2
Molecular Weight278.36 g/mol
Exact Mass278.20
IUPAC Name[1-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine
SMILESCC1CCCN(C2(CN)CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C14H25F3N2/c1-11-3-2-8-19(9-11)13(10-18)6-4-12(5-7-13)14(15,16)17/h11-12H,2-10,18H2,1H3
InChIKeyUWBMWRDDLHVMML-UHFFFAOYSA-N
XLogP3.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-tert-butyl-1-(3-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 43079349
[1-(3-methylpyrrolidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
CID 64757805
[4-(2-methylbutan-2-yl)-1-(3-methylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 63471161
[3,3-dimethyl-1-(3-methylpiperidin-1-yl)cyclopentyl]methanamine
CID 80705682
[1-(4-propan-2-ylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine
CID 103494802
[4-methyl-1-(4-methylazepan-1-yl)cyclohexyl]methanamine
CID 63623138
[3,3,5,5-tetramethyl-1-(3-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 112682303
[1-(2,4-dimethylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine
CID 64755313
[4-tert-butyl-1-(3-ethylpiperidin-1-yl)cyclohexyl]methanamine
CID 43584372
[1-(3-methoxypiperidin-1-yl)-4-methylcycloheptyl]methanamine
CID 102965147
[2-(3-methylpiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine
CID 60796225
(2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanamine
CID 159003358

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of [1-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine (CID 64755486) is [1-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine is CC1CCCN(C2(CN)CCC(C(F)(F)F)CC2)C1.
What is the InChIKey of [1-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is UWBMWRDDLHVMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2/c1-11-3-2-8-19(9-11)13(10-18)6-4-12(5-7-13)14(15,16)17/h11-12H,2-10,18H2,1H3.
What are the key properties of [1-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine?
[1-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 278.36 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 64755486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).