ethane;5-methyl-6-piperidin-1-yl-3,4-dihydropyridine

C13H24N2 — CID 143449244

IUPACethane;5-methyl-6-piperidin-1-yl-3,4-dihydropyridine
SMILESCC.CC1=C(N2CCCCC2)N=CCC1
InChIInChI=1S/C11H18N2.C2H6/c1-10-6-5-7-12-11(10)13-8-3-2-4-9-13;1-2/h7H,2-6,8-9H2,1H3;1-2H3
InChIKeyCYZFWHKRQCBRSZ-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.59
Rot. Bonds1

About ethane;5-methyl-6-piperidin-1-yl-3,4-dihydropyridine

ethane;5-methyl-6-piperidin-1-yl-3,4-dihydropyridine (PubChem CID 143449244) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is ethane;5-methyl-6-piperidin-1-yl-3,4-dihydropyridine.

Molecular Properties

Compound Nameethane;5-methyl-6-piperidin-1-yl-3,4-dihydropyridine
PubChem CID143449244
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Nameethane;5-methyl-6-piperidin-1-yl-3,4-dihydropyridine
SMILESCC.CC1=C(N2CCCCC2)N=CCC1
InChIInChI=1S/C11H18N2.C2H6/c1-10-6-5-7-12-11(10)13-8-3-2-4-9-13;1-2/h7H,2-6,8-9H2,1H3;1-2H3
InChIKeyCYZFWHKRQCBRSZ-UHFFFAOYSA-N
XLogP3.59
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-6-piperidin-1-yl-3,4-dihydropyridine?
The IUPAC name of ethane;5-methyl-6-piperidin-1-yl-3,4-dihydropyridine (CID 143449244) is ethane;5-methyl-6-piperidin-1-yl-3,4-dihydropyridine.
What is the SMILES notation for ethane;5-methyl-6-piperidin-1-yl-3,4-dihydropyridine?
The canonical SMILES for ethane;5-methyl-6-piperidin-1-yl-3,4-dihydropyridine is CC.CC1=C(N2CCCCC2)N=CCC1.
What is the InChIKey of ethane;5-methyl-6-piperidin-1-yl-3,4-dihydropyridine?
The InChIKey is CYZFWHKRQCBRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2.C2H6/c1-10-6-5-7-12-11(10)13-8-3-2-4-9-13;1-2/h7H,2-6,8-9H2,1H3;1-2H3.
What are the key properties of ethane;5-methyl-6-piperidin-1-yl-3,4-dihydropyridine?
ethane;5-methyl-6-piperidin-1-yl-3,4-dihydropyridine has a molecular weight of 208.35 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-6-piperidin-1-yl-3,4-dihydropyridine is sourced from PubChem (CID 143449244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).