[4-(aminomethyl)-4-phenylpiperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone

C19H21N5O — CID 166291641

IUPAC[4-(aminomethyl)-4-phenylpiperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
SMILESNCC1(c2ccccc2)CCN(C(=O)c2ccc3ncnn3c2)CC1
InChIInChI=1S/C19H21N5O/c20-13-19(16-4-2-1-3-5-16)8-10-23(11-9-19)18(25)15-6-7-17-21-14-22-24(17)12-15/h1-7,12,14H,8-11,13,20H2
InChIKeyUGLQLSYAGKPEQD-UHFFFAOYSA-N
MW335.41 g/mol
LogP1.86
Rot. Bonds3

About [4-(aminomethyl)-4-phenylpiperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone

[4-(aminomethyl)-4-phenylpiperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone (PubChem CID 166291641) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is [4-(aminomethyl)-4-phenylpiperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)-4-phenylpiperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
PubChem CID166291641
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name[4-(aminomethyl)-4-phenylpiperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
SMILESNCC1(c2ccccc2)CCN(C(=O)c2ccc3ncnn3c2)CC1
InChIInChI=1S/C19H21N5O/c20-13-19(16-4-2-1-3-5-16)8-10-23(11-9-19)18(25)15-6-7-17-21-14-22-24(17)12-15/h1-7,12,14H,8-11,13,20H2
InChIKeyUGLQLSYAGKPEQD-UHFFFAOYSA-N
XLogP1.86
TPSA76.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-4-phenylpiperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone?
The IUPAC name of [4-(aminomethyl)-4-phenylpiperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone (CID 166291641) is [4-(aminomethyl)-4-phenylpiperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)-4-phenylpiperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone?
The canonical SMILES for [4-(aminomethyl)-4-phenylpiperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone is NCC1(c2ccccc2)CCN(C(=O)c2ccc3ncnn3c2)CC1.
What is the InChIKey of [4-(aminomethyl)-4-phenylpiperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone?
The InChIKey is UGLQLSYAGKPEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c20-13-19(16-4-2-1-3-5-16)8-10-23(11-9-19)18(25)15-6-7-17-21-14-22-24(17)12-15/h1-7,12,14H,8-11,13,20H2.
What are the key properties of [4-(aminomethyl)-4-phenylpiperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone?
[4-(aminomethyl)-4-phenylpiperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone has a molecular weight of 335.41 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-4-phenylpiperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone is sourced from PubChem (CID 166291641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).