1-(5-cyclooctyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine

C16H29N5 — CID 102798989

IUPAC1-(5-cyclooctyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
SMILESCC1CCN(c2n[nH]c(C3CCCCCCC3)n2)CC1N
InChIInChI=1S/C16H29N5/c1-12-9-10-21(11-14(12)17)16-18-15(19-20-16)13-7-5-3-2-4-6-8-13/h12-14H,2-11,17H2,1H3,(H,18,19,20)
InChIKeyZSFQEMQSGYMVLR-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.81
Rot. Bonds2

About 1-(5-cyclooctyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine

1-(5-cyclooctyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine (PubChem CID 102798989) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(5-cyclooctyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-(5-cyclooctyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
PubChem CID102798989
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name1-(5-cyclooctyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
SMILESCC1CCN(c2n[nH]c(C3CCCCCCC3)n2)CC1N
InChIInChI=1S/C16H29N5/c1-12-9-10-21(11-14(12)17)16-18-15(19-20-16)13-7-5-3-2-4-6-8-13/h12-14H,2-11,17H2,1H3,(H,18,19,20)
InChIKeyZSFQEMQSGYMVLR-UHFFFAOYSA-N
XLogP2.81
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclooctyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine?
The IUPAC name of 1-(5-cyclooctyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine (CID 102798989) is 1-(5-cyclooctyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine.
What is the SMILES notation for 1-(5-cyclooctyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine?
The canonical SMILES for 1-(5-cyclooctyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine is CC1CCN(c2n[nH]c(C3CCCCCCC3)n2)CC1N.
What is the InChIKey of 1-(5-cyclooctyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine?
The InChIKey is ZSFQEMQSGYMVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-12-9-10-21(11-14(12)17)16-18-15(19-20-16)13-7-5-3-2-4-6-8-13/h12-14H,2-11,17H2,1H3,(H,18,19,20).
What are the key properties of 1-(5-cyclooctyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine?
1-(5-cyclooctyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine has a molecular weight of 291.44 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclooctyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine is sourced from PubChem (CID 102798989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).