2-[4-[4-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine

C25H32N6 — CID 10001983

IUPAC2-[4-[4-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
SMILESc1ccc(Cn2c(CN3CCCCC3)nnc2C2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C25H32N6/c1-3-9-21(10-4-1)19-31-24(20-29-15-7-2-8-16-29)27-28-25(31)22-12-17-30(18-13-22)23-11-5-6-14-26-23/h1,3-6,9-11,14,22H,2,7-8,12-13,15-20H2
InChIKeyKLIMBLDWDTUYDG-UHFFFAOYSA-N
MW416.57 g/mol
LogP4.09
Rot. Bonds6

About 2-[4-[4-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine

2-[4-[4-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine (PubChem CID 10001983) has the molecular formula C25H32N6 and a molecular weight of 416.57 g/mol. Its IUPAC name is 2-[4-[4-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine.

Molecular Properties

Compound Name2-[4-[4-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
PubChem CID10001983
Molecular FormulaC25H32N6
Molecular Weight416.57 g/mol
Exact Mass416.27
IUPAC Name2-[4-[4-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
SMILESc1ccc(Cn2c(CN3CCCCC3)nnc2C2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C25H32N6/c1-3-9-21(10-4-1)19-31-24(20-29-15-7-2-8-16-29)27-28-25(31)22-12-17-30(18-13-22)23-11-5-6-14-26-23/h1,3-6,9-11,14,22H,2,7-8,12-13,15-20H2
InChIKeyKLIMBLDWDTUYDG-UHFFFAOYSA-N
XLogP4.09
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[4-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine with MolForge

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Launch Full Analysis

Related Compounds

4-[[4-benzyl-5-(1-pyridin-2-ylpiperidin-2-yl)-1,2,4-triazol-3-yl]methyl]morpholine
CID 91381963
2-[4-[4-benzyl-5-(oxolan-2-yl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 10068937
4-[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 70729924
1-pyridin-2-yl-4-(pyridin-4-ylmethyl)-1,4-diazepane
CID 95811327
1-[[4-methyl-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]azepane
CID 72884249
3-methyl-6-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine
CID 70767796
2-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-4-carboxamide
CID 72853068
2-[4-[4-benzyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-3-carbonitrile;2-[4-[4-benzyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-3-carboxamide
CID 87878936
8-[[4-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline
CID 24594204
3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(2-phenylethyl)piperidine
CID 70727688
4-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 70768111
5-(piperidin-1-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)-5,6-dihydro-1,4,2-dioxazine
CID 172524093

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
The IUPAC name of 2-[4-[4-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine (CID 10001983) is 2-[4-[4-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine.
What is the SMILES notation for 2-[4-[4-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
The canonical SMILES for 2-[4-[4-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine is c1ccc(Cn2c(CN3CCCCC3)nnc2C2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of 2-[4-[4-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
The InChIKey is KLIMBLDWDTUYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6/c1-3-9-21(10-4-1)19-31-24(20-29-15-7-2-8-16-29)27-28-25(31)22-12-17-30(18-13-22)23-11-5-6-14-26-23/h1,3-6,9-11,14,22H,2,7-8,12-13,15-20H2.
What are the key properties of 2-[4-[4-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
2-[4-[4-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine has a molecular weight of 416.57 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine is sourced from PubChem (CID 10001983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).