1-[5-(4,4-difluorocyclohexyl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine

C14H23F2N5 — CID 102798754

IUPAC1-[5-(4,4-difluorocyclohexyl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
SMILESCC1C(N)CCCN1c1n[nH]c(C2CCC(F)(F)CC2)n1
InChIInChI=1S/C14H23F2N5/c1-9-11(17)3-2-8-21(9)13-18-12(19-20-13)10-4-6-14(15,16)7-5-10/h9-11H,2-8,17H2,1H3,(H,18,19,20)
InChIKeyRGDBFPWUPSVCLO-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.41
Rot. Bonds2

About 1-[5-(4,4-difluorocyclohexyl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine

1-[5-(4,4-difluorocyclohexyl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine (PubChem CID 102798754) has the molecular formula C14H23F2N5 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[5-(4,4-difluorocyclohexyl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-[5-(4,4-difluorocyclohexyl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
PubChem CID102798754
Molecular FormulaC14H23F2N5
Molecular Weight299.37 g/mol
Exact Mass299.19
IUPAC Name1-[5-(4,4-difluorocyclohexyl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
SMILESCC1C(N)CCCN1c1n[nH]c(C2CCC(F)(F)CC2)n1
InChIInChI=1S/C14H23F2N5/c1-9-11(17)3-2-8-21(9)13-18-12(19-20-13)10-4-6-14(15,16)7-5-10/h9-11H,2-8,17H2,1H3,(H,18,19,20)
InChIKeyRGDBFPWUPSVCLO-UHFFFAOYSA-N
XLogP2.41
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidine
CID 61336802
Sdccgsbi-0659129.P001
CID 53192268
(2R*,6S*)-1-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2,6-dimethylpiperidine
CID 50973592
2-methyl-N-[3-(trifluoromethyl)cyclohexyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 121515910
(2S)-2-[3-isobutyl-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]piperidine
CID 131942532
trans-(1S,2S)-N-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 137992724
(3S)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-(2,2-difluoropropyl)piperidine
CID 164633336
2,2-difluoro-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]spiro[2.5]octan-6-amine
CID 164637105
4-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclohexan-1-amine
CID 64576473
4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclohexan-1-amine
CID 64576594
3-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclohexan-1-amine
CID 64577540
3-methyl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclohexan-1-amine
CID 71929241

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4,4-difluorocyclohexyl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine?
The IUPAC name of 1-[5-(4,4-difluorocyclohexyl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine (CID 102798754) is 1-[5-(4,4-difluorocyclohexyl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine.
What is the SMILES notation for 1-[5-(4,4-difluorocyclohexyl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine?
The canonical SMILES for 1-[5-(4,4-difluorocyclohexyl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine is CC1C(N)CCCN1c1n[nH]c(C2CCC(F)(F)CC2)n1.
What is the InChIKey of 1-[5-(4,4-difluorocyclohexyl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine?
The InChIKey is RGDBFPWUPSVCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2N5/c1-9-11(17)3-2-8-21(9)13-18-12(19-20-13)10-4-6-14(15,16)7-5-10/h9-11H,2-8,17H2,1H3,(H,18,19,20).
What are the key properties of 1-[5-(4,4-difluorocyclohexyl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine?
1-[5-(4,4-difluorocyclohexyl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine has a molecular weight of 299.37 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4,4-difluorocyclohexyl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine is sourced from PubChem (CID 102798754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).