[1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-4-yl]methanamine

C16H29N5 — CID 102800850

IUPAC[1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-4-yl]methanamine
SMILESCC1(CN)CCN(c2n[nH]c(C3CCCCCC3)n2)CC1
InChIInChI=1S/C16H29N5/c1-16(12-17)8-10-21(11-9-16)15-18-14(19-20-15)13-6-4-2-3-5-7-13/h13H,2-12,17H2,1H3,(H,18,19,20)
InChIKeyWRVJXBDIUFGQKG-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.81
Rot. Bonds3

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

[1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-4-yl]methanamine (PubChem CID 102800850) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is [1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-4-yl]methanamine
PubChem CID102800850
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name[1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-4-yl]methanamine
SMILESCC1(CN)CCN(c2n[nH]c(C3CCCCCC3)n2)CC1
InChIInChI=1S/C16H29N5/c1-16(12-17)8-10-21(11-9-16)15-18-14(19-20-15)13-6-4-2-3-5-7-13/h13H,2-12,17H2,1H3,(H,18,19,20)
InChIKeyWRVJXBDIUFGQKG-UHFFFAOYSA-N
XLogP2.81
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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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Related Compounds

[4-methyl-1-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800962
1-[1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]ethanamine
CID 102799146
[4-methyl-1-[5-(2-pyrrolidin-1-ylethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800983
[3-methyl-1-[5-(5-methyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799449
1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-3,5-dimethylpiperazine
CID 102797265
(3S)-1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-3-methylpiperazine
CID 102797916
1-(5-cyclooctyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
CID 102798989
1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
CID 102798873
2-[4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]pyrimidine
CID 167968344
[3-methyl-1-[5-(5-methyloxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799581
[1-(5-hexyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-4-yl]methanamine
CID 102800942
[1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)cyclohexyl]methanamine
CID 115437062

Frequently Asked Questions

What is the IUPAC name of [1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-4-yl]methanamine?
The IUPAC name of [1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-4-yl]methanamine (CID 102800850) is [1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-4-yl]methanamine.
What is the SMILES notation for [1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-4-yl]methanamine?
The canonical SMILES for [1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-4-yl]methanamine is CC1(CN)CCN(c2n[nH]c(C3CCCCCC3)n2)CC1.
What is the InChIKey of [1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-4-yl]methanamine?
The InChIKey is WRVJXBDIUFGQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-16(12-17)8-10-21(11-9-16)15-18-14(19-20-15)13-6-4-2-3-5-7-13/h13H,2-12,17H2,1H3,(H,18,19,20).
What are the key properties of [1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-4-yl]methanamine?
[1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-4-yl]methanamine has a molecular weight of 291.44 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-4-yl]methanamine is sourced from PubChem (CID 102800850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).