ethane;3-(1-methylpiperidin-4-yl)-5-prop-1-en-2-ylpyridine

C16H26N2 — CID 171624231

IUPACethane;3-(1-methylpiperidin-4-yl)-5-prop-1-en-2-ylpyridine
SMILESC=C(C)c1cncc(C2CCN(C)CC2)c1.CC
InChIInChI=1S/C14H20N2.C2H6/c1-11(2)13-8-14(10-15-9-13)12-4-6-16(3)7-5-12;1-2/h8-10,12H,1,4-7H2,2-3H3;1-2H3
InChIKeyKEDIDBLSPHLSKI-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.95
Rot. Bonds2

About ethane;3-(1-methylpiperidin-4-yl)-5-prop-1-en-2-ylpyridine

ethane;3-(1-methylpiperidin-4-yl)-5-prop-1-en-2-ylpyridine (PubChem CID 171624231) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is ethane;3-(1-methylpiperidin-4-yl)-5-prop-1-en-2-ylpyridine.

Molecular Properties

Compound Nameethane;3-(1-methylpiperidin-4-yl)-5-prop-1-en-2-ylpyridine
PubChem CID171624231
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Nameethane;3-(1-methylpiperidin-4-yl)-5-prop-1-en-2-ylpyridine
SMILESC=C(C)c1cncc(C2CCN(C)CC2)c1.CC
InChIInChI=1S/C14H20N2.C2H6/c1-11(2)13-8-14(10-15-9-13)12-4-6-16(3)7-5-12;1-2/h8-10,12H,1,4-7H2,2-3H3;1-2H3
InChIKeyKEDIDBLSPHLSKI-UHFFFAOYSA-N
XLogP3.95
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-isocyanato-5-(1-methylpiperidin-4-yl)pyridine
CID 115030120
5-(1-methylpiperidin-3-yl)pyridine-3-carboxylic acid
CID 115032031
2,3-dimethyl-5-(1-methylpiperidin-4-yl)pyridine
CID 158714513
3-methyl-5-(1-methylpiperidin-4-yl)-2-propan-2-ylpyridine
CID 170588740
methyl 5-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyridine-3-carboxylate
CID 177196515
3-bromo-5-prop-1-en-2-ylpyridine
CID 86707020
N-(azetidin-3-yl)-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine
CID 116974693
3-methyl-5-prop-1-en-2-ylpyridine;propan-2-ylcyclobutane
CID 176949373
5-ethenyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
CID 155919871
5-(1-methylpiperidin-4-yl)-3-pyrrolidin-1-ylpyridazine
CID 163230108
2-[3-(1-methylpiperidin-4-yl)phenyl]-2-oxoacetic acid
CID 117370492
N-(1-methylpiperidin-4-yl)pyrimidine-5-carboxamide
CID 110466807

Frequently Asked Questions

What is the IUPAC name of ethane;3-(1-methylpiperidin-4-yl)-5-prop-1-en-2-ylpyridine?
The IUPAC name of ethane;3-(1-methylpiperidin-4-yl)-5-prop-1-en-2-ylpyridine (CID 171624231) is ethane;3-(1-methylpiperidin-4-yl)-5-prop-1-en-2-ylpyridine.
What is the SMILES notation for ethane;3-(1-methylpiperidin-4-yl)-5-prop-1-en-2-ylpyridine?
The canonical SMILES for ethane;3-(1-methylpiperidin-4-yl)-5-prop-1-en-2-ylpyridine is C=C(C)c1cncc(C2CCN(C)CC2)c1.CC.
What is the InChIKey of ethane;3-(1-methylpiperidin-4-yl)-5-prop-1-en-2-ylpyridine?
The InChIKey is KEDIDBLSPHLSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2.C2H6/c1-11(2)13-8-14(10-15-9-13)12-4-6-16(3)7-5-12;1-2/h8-10,12H,1,4-7H2,2-3H3;1-2H3.
What are the key properties of ethane;3-(1-methylpiperidin-4-yl)-5-prop-1-en-2-ylpyridine?
ethane;3-(1-methylpiperidin-4-yl)-5-prop-1-en-2-ylpyridine has a molecular weight of 246.40 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(1-methylpiperidin-4-yl)-5-prop-1-en-2-ylpyridine is sourced from PubChem (CID 171624231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).