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

C12H23N5 — CID 54895654

IUPAC1-(1-methylpiperidin-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCC(NCc1nncn1C)C1CCN(C)CC1
InChIInChI=1S/C12H23N5/c1-10(11-4-6-16(2)7-5-11)13-8-12-15-14-9-17(12)3/h9-11,13H,4-8H2,1-3H3
InChIKeyNRBGYPDNBXKGAO-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.63
Rot. Bonds4

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

1-(1-methylpiperidin-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine (PubChem CID 54895654) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
PubChem CID54895654
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name1-(1-methylpiperidin-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCC(NCc1nncn1C)C1CCN(C)CC1
InChIInChI=1S/C12H23N5/c1-10(11-4-6-16(2)7-5-11)13-8-12-15-14-9-17(12)3/h9-11,13H,4-8H2,1-3H3
InChIKeyNRBGYPDNBXKGAO-UHFFFAOYSA-N
XLogP0.63
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine (CID 54895654) is 1-(1-methylpiperidin-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine is CC(NCc1nncn1C)C1CCN(C)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The InChIKey is NRBGYPDNBXKGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-10(11-4-6-16(2)7-5-11)13-8-12-15-14-9-17(12)3/h9-11,13H,4-8H2,1-3H3.
What are the key properties of 1-(1-methylpiperidin-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine?
1-(1-methylpiperidin-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine has a molecular weight of 237.35 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 54895654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).