2,4,6-tri(piperidin-2-yl)-1,4-dihydro-1,3,5-triazine

C18H32N6 — CID 5232409

IUPAC2,4,6-tri(piperidin-2-yl)-1,4-dihydro-1,3,5-triazine
SMILESC1CCC(C2=NC(C3CCCCN3)N=C(C3CCCCN3)N2)NC1
InChIInChI=1S/C18H32N6/c1-4-10-19-13(7-1)16-22-17(14-8-2-5-11-20-14)24-18(23-16)15-9-3-6-12-21-15/h13-16,19-21H,1-12H2,(H,22,23,24)
InChIKeyBPYFPDSSNLMVDZ-UHFFFAOYSA-N
MW332.50 g/mol
LogP1.14
Rot. Bonds3

About 2,4,6-tri(piperidin-2-yl)-1,4-dihydro-1,3,5-triazine

2,4,6-tri(piperidin-2-yl)-1,4-dihydro-1,3,5-triazine (PubChem CID 5232409) has the molecular formula C18H32N6 and a molecular weight of 332.50 g/mol. Its IUPAC name is 2,4,6-tri(piperidin-2-yl)-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tri(piperidin-2-yl)-1,4-dihydro-1,3,5-triazine
PubChem CID5232409
Molecular FormulaC18H32N6
Molecular Weight332.50 g/mol
Exact Mass332.27
IUPAC Name2,4,6-tri(piperidin-2-yl)-1,4-dihydro-1,3,5-triazine
SMILESC1CCC(C2=NC(C3CCCCN3)N=C(C3CCCCN3)N2)NC1
InChIInChI=1S/C18H32N6/c1-4-10-19-13(7-1)16-22-17(14-8-2-5-11-20-14)24-18(23-16)15-9-3-6-12-21-15/h13-16,19-21H,1-12H2,(H,22,23,24)
InChIKeyBPYFPDSSNLMVDZ-UHFFFAOYSA-N
XLogP1.14
TPSA72.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.50
LogP ≤ 51.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

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5-methyl-2-piperidin-2-ylpyrimidine
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(2S)-2-cyclohexylpiperidine
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2-cyclodecylazecane
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(3S,6S)-3,6-bis[(2R)-piperidin-2-yl]piperazine-2,5-dione
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(4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
CID 15650611
2-chloro-4,6-dimethyl-5-piperidin-2-ylpyrimidine
CID 115070130
2-cycloheptylpiperidine;hydrochloride
CID 115030388
3-methyl-5-[(2R)-piperidin-2-yl]pyridine
CID 96741558
4-methyl-5-piperidin-2-yl-1,3-thiazole
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2-(3-fluoro-5-methylphenyl)piperidine
CID 55297533

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tri(piperidin-2-yl)-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2,4,6-tri(piperidin-2-yl)-1,4-dihydro-1,3,5-triazine (CID 5232409) is 2,4,6-tri(piperidin-2-yl)-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tri(piperidin-2-yl)-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2,4,6-tri(piperidin-2-yl)-1,4-dihydro-1,3,5-triazine is C1CCC(C2=NC(C3CCCCN3)N=C(C3CCCCN3)N2)NC1.
What is the InChIKey of 2,4,6-tri(piperidin-2-yl)-1,4-dihydro-1,3,5-triazine?
The InChIKey is BPYFPDSSNLMVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6/c1-4-10-19-13(7-1)16-22-17(14-8-2-5-11-20-14)24-18(23-16)15-9-3-6-12-21-15/h13-16,19-21H,1-12H2,(H,22,23,24).
What are the key properties of 2,4,6-tri(piperidin-2-yl)-1,4-dihydro-1,3,5-triazine?
2,4,6-tri(piperidin-2-yl)-1,4-dihydro-1,3,5-triazine has a molecular weight of 332.50 g/mol, XLogP of 1.14, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tri(piperidin-2-yl)-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 5232409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).