ethyl 1-(2-cyanophenyl)piperidine-3-carboxylate

C15H18N2O2 — CID 43180301

IUPACethyl 1-(2-cyanophenyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2ccccc2C#N)C1
InChIInChI=1S/C15H18N2O2/c1-2-19-15(18)13-7-5-9-17(11-13)14-8-4-3-6-12(14)10-16/h3-4,6,8,13H,2,5,7,9,11H2,1H3
InChIKeyNIGGUJWXBODXQP-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.34
Rot. Bonds3

About ethyl 1-(2-cyanophenyl)piperidine-3-carboxylate

ethyl 1-(2-cyanophenyl)piperidine-3-carboxylate (PubChem CID 43180301) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is ethyl 1-(2-cyanophenyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-cyanophenyl)piperidine-3-carboxylate
PubChem CID43180301
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Nameethyl 1-(2-cyanophenyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2ccccc2C#N)C1
InChIInChI=1S/C15H18N2O2/c1-2-19-15(18)13-7-5-9-17(11-13)14-8-4-3-6-12(14)10-16/h3-4,6,8,13H,2,5,7,9,11H2,1H3
InChIKeyNIGGUJWXBODXQP-UHFFFAOYSA-N
XLogP2.34
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(2-cyanophenyl)piperidine-3-carboxylate
CID 78920451
ethyl 1-(2-cyano-5-methoxyphenyl)piperidine-3-carboxylate
CID 81296564
ethyl 1-(4-aminonaphthalen-1-yl)piperidine-3-carboxylate
CID 118952705
ethyl 1-[[4-(2-cyanophenyl)phenyl]methyl]piperidine-3-carboxylate
CID 16618079
ethyl 1-(5-cyano-2-pyridinyl)piperidine-3-carboxylate
CID 24704715
ethyl 1-(4-acetylphenyl)piperidine-3-carboxylate
CID 43176930
ethyl (3R)-1-[(4aR,5R)-3-(2-cyanophenyl)-8-nitro-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carbonyl]piperidine-3-carboxylate
CID 99730204
ethyl 1-(2,3,4-trifluorophenyl)piperidine-3-carboxylate
CID 82537647
ethyl 1-(6-methyl-2-pyridinyl)piperidine-3-carboxylate
CID 62005482
ethyl 1-(1,2,4-benzotriazin-3-yl)piperidine-3-carboxylate
CID 103204945
ethyl 1-[5-amino-6-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]piperidine-3-carboxylate
CID 22543201
ethyl 1-(4-methoxyphenyl)piperidine-3-carboxylate
CID 82537675

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-cyanophenyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(2-cyanophenyl)piperidine-3-carboxylate (CID 43180301) is ethyl 1-(2-cyanophenyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2-cyanophenyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(2-cyanophenyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(c2ccccc2C#N)C1.
What is the InChIKey of ethyl 1-(2-cyanophenyl)piperidine-3-carboxylate?
The InChIKey is NIGGUJWXBODXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-19-15(18)13-7-5-9-17(11-13)14-8-4-3-6-12(14)10-16/h3-4,6,8,13H,2,5,7,9,11H2,1H3.
What are the key properties of ethyl 1-(2-cyanophenyl)piperidine-3-carboxylate?
ethyl 1-(2-cyanophenyl)piperidine-3-carboxylate has a molecular weight of 258.32 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-cyanophenyl)piperidine-3-carboxylate is sourced from PubChem (CID 43180301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).