ethyl 1-methyl-2-piperidin-1-ylcyclohex-2-ene-1-carboxylate

C15H25NO2 — CID 10037812

IUPACethyl 1-methyl-2-piperidin-1-ylcyclohex-2-ene-1-carboxylate
SMILESCCOC(=O)C1(C)CCCC=C1N1CCCCC1
InChIInChI=1S/C15H25NO2/c1-3-18-14(17)15(2)10-6-5-9-13(15)16-11-7-4-8-12-16/h9H,3-8,10-12H2,1-2H3
InChIKeyDMBGNGWRFXKVES-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.11
Rot. Bonds3

About ethyl 1-methyl-2-piperidin-1-ylcyclohex-2-ene-1-carboxylate

ethyl 1-methyl-2-piperidin-1-ylcyclohex-2-ene-1-carboxylate (PubChem CID 10037812) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is ethyl 1-methyl-2-piperidin-1-ylcyclohex-2-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-2-piperidin-1-ylcyclohex-2-ene-1-carboxylate
PubChem CID10037812
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Nameethyl 1-methyl-2-piperidin-1-ylcyclohex-2-ene-1-carboxylate
SMILESCCOC(=O)C1(C)CCCC=C1N1CCCCC1
InChIInChI=1S/C15H25NO2/c1-3-18-14(17)15(2)10-6-5-9-13(15)16-11-7-4-8-12-16/h9H,3-8,10-12H2,1-2H3
InChIKeyDMBGNGWRFXKVES-UHFFFAOYSA-N
XLogP3.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (1S)-1-methyl-2-morpholin-4-ylcyclohex-2-ene-1-carboxylate
CID 71019149
Ethyl 2-(azepan-1-yl)-1-methylcyclohex-2-ene-1-carboxylate
CID 10015734
ethyl 2-piperidin-1-yl-1-[(E)-prop-1-enyl]cyclohex-2-ene-1-carboxylate
CID 10016363
ethyl 1-[(E)-1-bromoprop-1-en-2-yl]-2-piperidin-1-ylcyclohex-2-ene-1-carboxylate
CID 10021144
Ethyl 1-methyl-2-pyrrolidin-1-ylcyclohex-2-ene-1-carboxylate
CID 10037171
ethyl 1-[(E)-prop-1-enyl]-2-pyrrolidin-1-ylcyclohex-2-ene-1-carboxylate
CID 10061318
Ethyl 2-piperidin-1-yl-1-prop-2-enylcyclopent-2-ene-1-carboxylate
CID 10106818
ethyl 2-(azepan-1-yl)-1-[(E)-prop-1-enyl]cyclohex-2-ene-1-carboxylate
CID 10266297
Ethyl 2-(azepan-1-yl)-1-methylcyclopent-2-ene-1-carboxylate
CID 10354800
Ethyl 1-methyl-2-piperidin-1-ylcyclopent-2-ene-1-carboxylate
CID 10399281
Ethyl 1-ethyl-2-piperidin-1-ylcyclohex-2-ene-1-carboxylate
CID 10400656
Ethyl (2-methyl-2-azaspiro[5.5]undec-8-en-1-yl)acetate
CID 13106409

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-2-piperidin-1-ylcyclohex-2-ene-1-carboxylate?
The IUPAC name of ethyl 1-methyl-2-piperidin-1-ylcyclohex-2-ene-1-carboxylate (CID 10037812) is ethyl 1-methyl-2-piperidin-1-ylcyclohex-2-ene-1-carboxylate.
What is the SMILES notation for ethyl 1-methyl-2-piperidin-1-ylcyclohex-2-ene-1-carboxylate?
The canonical SMILES for ethyl 1-methyl-2-piperidin-1-ylcyclohex-2-ene-1-carboxylate is CCOC(=O)C1(C)CCCC=C1N1CCCCC1.
What is the InChIKey of ethyl 1-methyl-2-piperidin-1-ylcyclohex-2-ene-1-carboxylate?
The InChIKey is DMBGNGWRFXKVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-3-18-14(17)15(2)10-6-5-9-13(15)16-11-7-4-8-12-16/h9H,3-8,10-12H2,1-2H3.
What are the key properties of ethyl 1-methyl-2-piperidin-1-ylcyclohex-2-ene-1-carboxylate?
ethyl 1-methyl-2-piperidin-1-ylcyclohex-2-ene-1-carboxylate has a molecular weight of 251.37 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-2-piperidin-1-ylcyclohex-2-ene-1-carboxylate is sourced from PubChem (CID 10037812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).