2-(1-methylpiperidin-4-yl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine

C14H27N5 — CID 114515375

IUPAC2-(1-methylpiperidin-4-yl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCC(C)n1ncnc1CNCCC1CCN(C)CC1
InChIInChI=1S/C14H27N5/c1-12(2)19-14(16-11-17-19)10-15-7-4-13-5-8-18(3)9-6-13/h11-13,15H,4-10H2,1-3H3
InChIKeyFDJUFTSVJKFYEQ-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.68
Rot. Bonds6

About 2-(1-methylpiperidin-4-yl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine

2-(1-methylpiperidin-4-yl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine (PubChem CID 114515375) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine
PubChem CID114515375
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name2-(1-methylpiperidin-4-yl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCC(C)n1ncnc1CNCCC1CCN(C)CC1
InChIInChI=1S/C14H27N5/c1-12(2)19-14(16-11-17-19)10-15-7-4-13-5-8-18(3)9-6-13/h11-13,15H,4-10H2,1-3H3
InChIKeyFDJUFTSVJKFYEQ-UHFFFAOYSA-N
XLogP1.68
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine?
The IUPAC name of 2-(1-methylpiperidin-4-yl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine (CID 114515375) is 2-(1-methylpiperidin-4-yl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine is CC(C)n1ncnc1CNCCC1CCN(C)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine?
The InChIKey is FDJUFTSVJKFYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-12(2)19-14(16-11-17-19)10-15-7-4-13-5-8-18(3)9-6-13/h11-13,15H,4-10H2,1-3H3.
What are the key properties of 2-(1-methylpiperidin-4-yl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine?
2-(1-methylpiperidin-4-yl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine has a molecular weight of 265.40 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 114515375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).