ethyl 1-(5-chloro-2-cyanophenyl)piperidine-4-carboxylate

C15H17ClN2O2 — CID 63083153

IUPACethyl 1-(5-chloro-2-cyanophenyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cc(Cl)ccc2C#N)CC1
InChIInChI=1S/C15H17ClN2O2/c1-2-20-15(19)11-5-7-18(8-6-11)14-9-13(16)4-3-12(14)10-17/h3-4,9,11H,2,5-8H2,1H3
InChIKeyPSBFFRZLGQMSSS-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.99
Rot. Bonds3

About ethyl 1-(5-chloro-2-cyanophenyl)piperidine-4-carboxylate

ethyl 1-(5-chloro-2-cyanophenyl)piperidine-4-carboxylate (PubChem CID 63083153) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is ethyl 1-(5-chloro-2-cyanophenyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-chloro-2-cyanophenyl)piperidine-4-carboxylate
PubChem CID63083153
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Nameethyl 1-(5-chloro-2-cyanophenyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cc(Cl)ccc2C#N)CC1
InChIInChI=1S/C15H17ClN2O2/c1-2-20-15(19)11-5-7-18(8-6-11)14-9-13(16)4-3-12(14)10-17/h3-4,9,11H,2,5-8H2,1H3
InChIKeyPSBFFRZLGQMSSS-UHFFFAOYSA-N
XLogP2.99
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(2-cyano-5-fluorophenyl)piperidine-4-carboxylate
CID 171316298
ethyl 1-(2-cyano-4-methylphenyl)piperidine-4-carboxylate
CID 107926994
ethyl 1-(4-amino-2-cyanophenyl)piperidine-4-carboxylate
CID 22227900
ethyl 1-(5-chloro-2-cyanophenyl)piperidine-2-carboxylate
CID 63093053
ethyl 1-(4,5-dicyano-2-nitrophenyl)piperidine-4-carboxylate
CID 4920562
ethyl 1-(2-bromo-6-cyanophenyl)piperidine-4-carboxylate
CID 171316300
3-[1-(5-chloro-2-cyanophenyl)piperidin-4-yl]propanoic acid
CID 63081906
ethyl 1-(3-ethyl-4-fluoro-2-methylphenyl)piperidine-4-carboxylate
CID 143566802
ethyl 1-(2-cyano-5-methoxyphenyl)piperidine-3-carboxylate
CID 81296564
ethyl 1-(2-cyanophenyl)piperidine-3-carboxylate
CID 43180301
ethyl 1-(2-cyano-4-pyridinyl)piperidine-4-carboxylate
CID 62492327
ethyl 1-(5-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 46735169

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-chloro-2-cyanophenyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(5-chloro-2-cyanophenyl)piperidine-4-carboxylate (CID 63083153) is ethyl 1-(5-chloro-2-cyanophenyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(5-chloro-2-cyanophenyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(5-chloro-2-cyanophenyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(c2cc(Cl)ccc2C#N)CC1.
What is the InChIKey of ethyl 1-(5-chloro-2-cyanophenyl)piperidine-4-carboxylate?
The InChIKey is PSBFFRZLGQMSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-2-20-15(19)11-5-7-18(8-6-11)14-9-13(16)4-3-12(14)10-17/h3-4,9,11H,2,5-8H2,1H3.
What are the key properties of ethyl 1-(5-chloro-2-cyanophenyl)piperidine-4-carboxylate?
ethyl 1-(5-chloro-2-cyanophenyl)piperidine-4-carboxylate has a molecular weight of 292.77 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-chloro-2-cyanophenyl)piperidine-4-carboxylate is sourced from PubChem (CID 63083153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).