2-(1,2-dihydropyridin-4-yl)-4,6-di(piperidin-4-yl)-1,3,5-triazinane

C18H32N6 — CID 5246784

IUPAC2-(1,2-dihydropyridin-4-yl)-4,6-di(piperidin-4-yl)-1,3,5-triazinane
SMILESC1=CC(C2NC(C3CCNCC3)NC(C3CCNCC3)N2)=CCN1
InChIInChI=1S/C18H32N6/c1-7-19-8-2-13(1)16-22-17(14-3-9-20-10-4-14)24-18(23-16)15-5-11-21-12-6-15/h1-2,7,14-24H,3-6,8-12H2
InChIKeyTVCBDXAHZBELRG-UHFFFAOYSA-N
MW332.50 g/mol
LogP-0.21
Rot. Bonds3

About 2-(1,2-dihydropyridin-4-yl)-4,6-di(piperidin-4-yl)-1,3,5-triazinane

2-(1,2-dihydropyridin-4-yl)-4,6-di(piperidin-4-yl)-1,3,5-triazinane (PubChem CID 5246784) has the molecular formula C18H32N6 and a molecular weight of 332.50 g/mol. Its IUPAC name is 2-(1,2-dihydropyridin-4-yl)-4,6-di(piperidin-4-yl)-1,3,5-triazinane.

Molecular Properties

Compound Name2-(1,2-dihydropyridin-4-yl)-4,6-di(piperidin-4-yl)-1,3,5-triazinane
PubChem CID5246784
Molecular FormulaC18H32N6
Molecular Weight332.50 g/mol
Exact Mass332.27
IUPAC Name2-(1,2-dihydropyridin-4-yl)-4,6-di(piperidin-4-yl)-1,3,5-triazinane
SMILESC1=CC(C2NC(C3CCNCC3)NC(C3CCNCC3)N2)=CCN1
InChIInChI=1S/C18H32N6/c1-7-19-8-2-13(1)16-22-17(14-3-9-20-10-4-14)24-18(23-16)15-5-11-21-12-6-15/h1-2,7,14-24H,3-6,8-12H2
InChIKeyTVCBDXAHZBELRG-UHFFFAOYSA-N
XLogP-0.21
TPSA72.18 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.50
LogP ≤ 5-0.21
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-piperidin-4-ylethenyl)-1,2-dihydropyridine
CID 5232812
4-[3,4,5-tri(piperidin-4-yl)thiophen-2-yl]-1,2-dihydropyridine
CID 5247925
4-piperidin-4-ylpiperidine;trihydrochloride
CID 172779803
4-[5-[4-ethyl-3-[(Z)-prop-1-enyl]phenyl]-1,2,4-triazolidin-3-yl]-1,2-dihydropyridine
CID 145190311
(1S)-4-piperidin-4-ylcyclohexa-2,4-dien-1-amine
CID 89473883
3-piperidin-4-yl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 110225881
4-(2-cyclohexa-1,5-dien-1-ylcyclohexyl)piperidine
CID 174764120
4-[2-[9,9-diethyl-7-(2-piperidin-4-ylethynyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl]ethynyl]-1,2-dihydropyridine
CID 5231724
4-(2-bromophenyl)-1,2-dihydropyridine
CID 173278953
4-cyclohepta-2,4,6-trien-1-ylpiperidine
CID 163709485
4-piperidin-4-ylthiane 1,1-dioxide
CID 82614676
4-[(1S)-2,3-dihydro-1H-inden-1-yl]piperidine
CID 92981221

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydropyridin-4-yl)-4,6-di(piperidin-4-yl)-1,3,5-triazinane?
The IUPAC name of 2-(1,2-dihydropyridin-4-yl)-4,6-di(piperidin-4-yl)-1,3,5-triazinane (CID 5246784) is 2-(1,2-dihydropyridin-4-yl)-4,6-di(piperidin-4-yl)-1,3,5-triazinane.
What is the SMILES notation for 2-(1,2-dihydropyridin-4-yl)-4,6-di(piperidin-4-yl)-1,3,5-triazinane?
The canonical SMILES for 2-(1,2-dihydropyridin-4-yl)-4,6-di(piperidin-4-yl)-1,3,5-triazinane is C1=CC(C2NC(C3CCNCC3)NC(C3CCNCC3)N2)=CCN1.
What is the InChIKey of 2-(1,2-dihydropyridin-4-yl)-4,6-di(piperidin-4-yl)-1,3,5-triazinane?
The InChIKey is TVCBDXAHZBELRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6/c1-7-19-8-2-13(1)16-22-17(14-3-9-20-10-4-14)24-18(23-16)15-5-11-21-12-6-15/h1-2,7,14-24H,3-6,8-12H2.
What are the key properties of 2-(1,2-dihydropyridin-4-yl)-4,6-di(piperidin-4-yl)-1,3,5-triazinane?
2-(1,2-dihydropyridin-4-yl)-4,6-di(piperidin-4-yl)-1,3,5-triazinane has a molecular weight of 332.50 g/mol, XLogP of -0.21, 3 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydropyridin-4-yl)-4,6-di(piperidin-4-yl)-1,3,5-triazinane is sourced from PubChem (CID 5246784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).