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

C16H29N5 — CID 79541672

IUPACN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-piperidin-2-ylcyclohexan-1-amine
SMILESCC(NC1CCCCC1C1CCCCN1)c1nncn1C
InChIInChI=1S/C16H29N5/c1-12(16-20-18-11-21(16)2)19-15-9-4-3-7-13(15)14-8-5-6-10-17-14/h11-15,17,19H,3-10H2,1-2H3
InChIKeyYQLKOYVTQBNIPO-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.17
Rot. Bonds4

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

N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-piperidin-2-ylcyclohexan-1-amine (PubChem CID 79541672) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-piperidin-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-piperidin-2-ylcyclohexan-1-amine
PubChem CID79541672
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-piperidin-2-ylcyclohexan-1-amine
SMILESCC(NC1CCCCC1C1CCCCN1)c1nncn1C
InChIInChI=1S/C16H29N5/c1-12(16-20-18-11-21(16)2)19-15-9-4-3-7-13(15)14-8-5-6-10-17-14/h11-15,17,19H,3-10H2,1-2H3
InChIKeyYQLKOYVTQBNIPO-UHFFFAOYSA-N
XLogP2.17
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-piperidin-2-ylcyclohexan-1-amine?
The IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-piperidin-2-ylcyclohexan-1-amine (CID 79541672) is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-piperidin-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-piperidin-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-piperidin-2-ylcyclohexan-1-amine is CC(NC1CCCCC1C1CCCCN1)c1nncn1C.
What is the InChIKey of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-piperidin-2-ylcyclohexan-1-amine?
The InChIKey is YQLKOYVTQBNIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-12(16-20-18-11-21(16)2)19-15-9-4-3-7-13(15)14-8-5-6-10-17-14/h11-15,17,19H,3-10H2,1-2H3.
What are the key properties of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-piperidin-2-ylcyclohexan-1-amine?
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-piperidin-2-ylcyclohexan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-piperidin-2-ylcyclohexan-1-amine is sourced from PubChem (CID 79541672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).