2-cyclohexyl-4-[6-(1,2-dihydropyridin-6-yl)piperidin-2-yl]-6-(6-piperidin-2-ylpiperidin-2-yl)-1,3-diazinane

C30H52N6 — CID 5257334

IUPAC2-cyclohexyl-4-[6-(1,2-dihydropyridin-6-yl)piperidin-2-yl]-6-(6-piperidin-2-ylpiperidin-2-yl)-1,3-diazinane
SMILESC1=CCNC(C2CCCC(C3CC(C4CCCC(C5CCCCN5)N4)NC(C4CCCCC4)N3)N2)=C1
InChIInChI=1S/C30H52N6/c1-2-10-21(11-3-1)30-35-28(26-16-8-14-24(33-26)22-12-4-6-18-31-22)20-29(36-30)27-17-9-15-25(34-27)23-13-5-7-19-32-23/h4,6,12,21,23-36H,1-3,5,7-11,13-20H2
InChIKeyIIWJASVFAODYME-UHFFFAOYSA-N
MW496.79 g/mol
LogP3.42
Rot. Bonds5

About 2-cyclohexyl-4-[6-(1,2-dihydropyridin-6-yl)piperidin-2-yl]-6-(6-piperidin-2-ylpiperidin-2-yl)-1,3-diazinane

2-cyclohexyl-4-[6-(1,2-dihydropyridin-6-yl)piperidin-2-yl]-6-(6-piperidin-2-ylpiperidin-2-yl)-1,3-diazinane (PubChem CID 5257334) has the molecular formula C30H52N6 and a molecular weight of 496.79 g/mol. Its IUPAC name is 2-cyclohexyl-4-[6-(1,2-dihydropyridin-6-yl)piperidin-2-yl]-6-(6-piperidin-2-ylpiperidin-2-yl)-1,3-diazinane.

Molecular Properties

Compound Name2-cyclohexyl-4-[6-(1,2-dihydropyridin-6-yl)piperidin-2-yl]-6-(6-piperidin-2-ylpiperidin-2-yl)-1,3-diazinane
PubChem CID5257334
Molecular FormulaC30H52N6
Molecular Weight496.79 g/mol
Exact Mass496.43
IUPAC Name2-cyclohexyl-4-[6-(1,2-dihydropyridin-6-yl)piperidin-2-yl]-6-(6-piperidin-2-ylpiperidin-2-yl)-1,3-diazinane
SMILESC1=CCNC(C2CCCC(C3CC(C4CCCC(C5CCCCN5)N4)NC(C4CCCCC4)N3)N2)=C1
InChIInChI=1S/C30H52N6/c1-2-10-21(11-3-1)30-35-28(26-16-8-14-24(33-26)22-12-4-6-18-31-22)20-29(36-30)27-17-9-15-25(34-27)23-13-5-7-19-32-23/h4,6,12,21,23-36H,1-3,5,7-11,13-20H2
InChIKeyIIWJASVFAODYME-UHFFFAOYSA-N
XLogP3.42
TPSA72.18 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.79
LogP ≤ 53.42
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 2-cyclohexyl-4-[6-(1,2-dihydropyridin-6-yl)piperidin-2-yl]-6-(6-piperidin-2-ylpiperidin-2-yl)-1,3-diazinane with MolForge

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Related Compounds

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2-pyrrolidin-2-ylpiperidine
CID 14810994
2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine;ethane
CID 142196659
2-(4-cyclohexylcyclohexyl)piperidine
CID 83404287
(5S,7R,22R,24S)-6,13,16,23,30-pentazahexacyclo[26.3.1.05,31.07,12.017,22.024,29]dotriaconta-1(32),28,30-triene
CID 58758475
1,2,3,4,5,5a,6,7,8,8a-decahydrocyclopenta[b][1,4]diazepine
CID 66851093

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-[6-(1,2-dihydropyridin-6-yl)piperidin-2-yl]-6-(6-piperidin-2-ylpiperidin-2-yl)-1,3-diazinane?
The IUPAC name of 2-cyclohexyl-4-[6-(1,2-dihydropyridin-6-yl)piperidin-2-yl]-6-(6-piperidin-2-ylpiperidin-2-yl)-1,3-diazinane (CID 5257334) is 2-cyclohexyl-4-[6-(1,2-dihydropyridin-6-yl)piperidin-2-yl]-6-(6-piperidin-2-ylpiperidin-2-yl)-1,3-diazinane.
What is the SMILES notation for 2-cyclohexyl-4-[6-(1,2-dihydropyridin-6-yl)piperidin-2-yl]-6-(6-piperidin-2-ylpiperidin-2-yl)-1,3-diazinane?
The canonical SMILES for 2-cyclohexyl-4-[6-(1,2-dihydropyridin-6-yl)piperidin-2-yl]-6-(6-piperidin-2-ylpiperidin-2-yl)-1,3-diazinane is C1=CCNC(C2CCCC(C3CC(C4CCCC(C5CCCCN5)N4)NC(C4CCCCC4)N3)N2)=C1.
What is the InChIKey of 2-cyclohexyl-4-[6-(1,2-dihydropyridin-6-yl)piperidin-2-yl]-6-(6-piperidin-2-ylpiperidin-2-yl)-1,3-diazinane?
The InChIKey is IIWJASVFAODYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H52N6/c1-2-10-21(11-3-1)30-35-28(26-16-8-14-24(33-26)22-12-4-6-18-31-22)20-29(36-30)27-17-9-15-25(34-27)23-13-5-7-19-32-23/h4,6,12,21,23-36H,1-3,5,7-11,13-20H2.
What are the key properties of 2-cyclohexyl-4-[6-(1,2-dihydropyridin-6-yl)piperidin-2-yl]-6-(6-piperidin-2-ylpiperidin-2-yl)-1,3-diazinane?
2-cyclohexyl-4-[6-(1,2-dihydropyridin-6-yl)piperidin-2-yl]-6-(6-piperidin-2-ylpiperidin-2-yl)-1,3-diazinane has a molecular weight of 496.79 g/mol, XLogP of 3.42, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-[6-(1,2-dihydropyridin-6-yl)piperidin-2-yl]-6-(6-piperidin-2-ylpiperidin-2-yl)-1,3-diazinane is sourced from PubChem (CID 5257334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).