1-cyclohexyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidin-4-amine

C20H29N5 — CID 75472388

IUPAC1-cyclohexyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidin-4-amine
SMILESCn1cnnc1-c1cccc(NC2CCN(C3CCCCC3)CC2)c1
InChIInChI=1S/C20H29N5/c1-24-15-21-23-20(24)16-6-5-7-18(14-16)22-17-10-12-25(13-11-17)19-8-3-2-4-9-19/h5-7,14-15,17,19,22H,2-4,8-13H2,1H3
InChIKeyCAIAGFFNAJOZJQ-UHFFFAOYSA-N
MW339.49 g/mol
LogP3.69
Rot. Bonds4

About 1-cyclohexyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidin-4-amine

1-cyclohexyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidin-4-amine (PubChem CID 75472388) has the molecular formula C20H29N5 and a molecular weight of 339.49 g/mol. Its IUPAC name is 1-cyclohexyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidin-4-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidin-4-amine
PubChem CID75472388
Molecular FormulaC20H29N5
Molecular Weight339.49 g/mol
Exact Mass339.24
IUPAC Name1-cyclohexyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidin-4-amine
SMILESCn1cnnc1-c1cccc(NC2CCN(C3CCCCC3)CC2)c1
InChIInChI=1S/C20H29N5/c1-24-15-21-23-20(24)16-6-5-7-18(14-16)22-17-10-12-25(13-11-17)19-8-3-2-4-9-19/h5-7,14-15,17,19,22H,2-4,8-13H2,1H3
InChIKeyCAIAGFFNAJOZJQ-UHFFFAOYSA-N
XLogP3.69
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidin-4-amine?
The IUPAC name of 1-cyclohexyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidin-4-amine (CID 75472388) is 1-cyclohexyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidin-4-amine.
What is the SMILES notation for 1-cyclohexyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidin-4-amine?
The canonical SMILES for 1-cyclohexyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidin-4-amine is Cn1cnnc1-c1cccc(NC2CCN(C3CCCCC3)CC2)c1.
What is the InChIKey of 1-cyclohexyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidin-4-amine?
The InChIKey is CAIAGFFNAJOZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5/c1-24-15-21-23-20(24)16-6-5-7-18(14-16)22-17-10-12-25(13-11-17)19-8-3-2-4-9-19/h5-7,14-15,17,19,22H,2-4,8-13H2,1H3.
What are the key properties of 1-cyclohexyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidin-4-amine?
1-cyclohexyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidin-4-amine has a molecular weight of 339.49 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidin-4-amine is sourced from PubChem (CID 75472388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).