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

C15H29N5 — CID 102800942

IUPAC[1-(5-hexyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-4-yl]methanamine
SMILESCCCCCCc1nc(N2CCC(C)(CN)CC2)n[nH]1
InChIInChI=1S/C15H29N5/c1-3-4-5-6-7-13-17-14(19-18-13)20-10-8-15(2,12-16)9-11-20/h3-12,16H2,1-2H3,(H,17,18,19)
InChIKeyLPOCFURZBUMWPD-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.49
Rot. Bonds7

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

[1-(5-hexyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-4-yl]methanamine (PubChem CID 102800942) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is [1-(5-hexyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(5-hexyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-4-yl]methanamine
PubChem CID102800942
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC Name[1-(5-hexyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-4-yl]methanamine
SMILESCCCCCCc1nc(N2CCC(C)(CN)CC2)n[nH]1
InChIInChI=1S/C15H29N5/c1-3-4-5-6-7-13-17-14(19-18-13)20-10-8-15(2,12-16)9-11-20/h3-12,16H2,1-2H3,(H,17,18,19)
InChIKeyLPOCFURZBUMWPD-UHFFFAOYSA-N
XLogP2.49
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-methyl-1-[5-(2-pyrrolidin-1-ylethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800983
[1-(5-hexyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine
CID 102800743
[1-(5-pentyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine
CID 102800741
1-[1-(5-heptyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]ethanamine
CID 102799158
(3S)-1-(5-heptyl-1H-1,2,4-triazol-3-yl)-3-methylpiperazine
CID 102797944
(3R)-1-(5-heptyl-1H-1,2,4-triazol-3-yl)-3-methylpiperazine
CID 102797599
1-(5-pentyl-1H-1,2,4-triazol-3-yl)pyrrolidin-3-amine
CID 102793292
[1-[5-(4-ethylthiadiazol-5-yl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-4-yl]methanamine
CID 136836621
[1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-4-yl]methanamine
CID 102800850
[3-methyl-1-[5-(2-pyrrolidin-1-ylethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799576
[3-methyl-1-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799408
[1-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine
CID 102800666

Frequently Asked Questions

What is the IUPAC name of [1-(5-hexyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-4-yl]methanamine?
The IUPAC name of [1-(5-hexyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-4-yl]methanamine (CID 102800942) is [1-(5-hexyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-4-yl]methanamine.
What is the SMILES notation for [1-(5-hexyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-4-yl]methanamine?
The canonical SMILES for [1-(5-hexyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-4-yl]methanamine is CCCCCCc1nc(N2CCC(C)(CN)CC2)n[nH]1.
What is the InChIKey of [1-(5-hexyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-4-yl]methanamine?
The InChIKey is LPOCFURZBUMWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-3-4-5-6-7-13-17-14(19-18-13)20-10-8-15(2,12-16)9-11-20/h3-12,16H2,1-2H3,(H,17,18,19).
What are the key properties of [1-(5-hexyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-4-yl]methanamine?
[1-(5-hexyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-4-yl]methanamine has a molecular weight of 279.43 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-hexyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-4-yl]methanamine is sourced from PubChem (CID 102800942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).