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

C13H21F2N5 — CID 102794443

IUPAC1-[5-(4,4-difluorocyclohexyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
SMILESNC1CCCN(c2n[nH]c(C3CCC(F)(F)CC3)n2)C1
InChIInChI=1S/C13H21F2N5/c14-13(15)5-3-9(4-6-13)11-17-12(19-18-11)20-7-1-2-10(16)8-20/h9-10H,1-8,16H2,(H,17,18,19)
InChIKeyRZUQMZFCQOCKCX-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.03
Rot. Bonds2

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

1-[5-(4,4-difluorocyclohexyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine (PubChem CID 102794443) has the molecular formula C13H21F2N5 and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-[5-(4,4-difluorocyclohexyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine.

Molecular Properties

Compound Name1-[5-(4,4-difluorocyclohexyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
PubChem CID102794443
Molecular FormulaC13H21F2N5
Molecular Weight285.34 g/mol
Exact Mass285.18
IUPAC Name1-[5-(4,4-difluorocyclohexyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
SMILESNC1CCCN(c2n[nH]c(C3CCC(F)(F)CC3)n2)C1
InChIInChI=1S/C13H21F2N5/c14-13(15)5-3-9(4-6-13)11-17-12(19-18-11)20-7-1-2-10(16)8-20/h9-10H,1-8,16H2,(H,17,18,19)
InChIKeyRZUQMZFCQOCKCX-UHFFFAOYSA-N
XLogP2.03
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.03
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
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-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]piperidine
CID 82569094
4-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine
CID 84037643
4-[[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]methyl]piperidine
CID 174288083
[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclohexyl]methanamine
CID 64574748
4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclohexan-1-amine
CID 64576594
cyclohexyl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanimine
CID 64577029
3-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclohexan-1-amine
CID 64577540

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4,4-difluorocyclohexyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The IUPAC name of 1-[5-(4,4-difluorocyclohexyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine (CID 102794443) is 1-[5-(4,4-difluorocyclohexyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine.
What is the SMILES notation for 1-[5-(4,4-difluorocyclohexyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The canonical SMILES for 1-[5-(4,4-difluorocyclohexyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine is NC1CCCN(c2n[nH]c(C3CCC(F)(F)CC3)n2)C1.
What is the InChIKey of 1-[5-(4,4-difluorocyclohexyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The InChIKey is RZUQMZFCQOCKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2N5/c14-13(15)5-3-9(4-6-13)11-17-12(19-18-11)20-7-1-2-10(16)8-20/h9-10H,1-8,16H2,(H,17,18,19).
What are the key properties of 1-[5-(4,4-difluorocyclohexyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
1-[5-(4,4-difluorocyclohexyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine has a molecular weight of 285.34 g/mol, XLogP of 2.03, 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]piperidin-3-amine is sourced from PubChem (CID 102794443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).