ethyl 1-(2-cyano-5-methylcyclohexyl)piperidine-3-carboxylate

C16H26N2O2 — CID 43291772

IUPACethyl 1-(2-cyano-5-methylcyclohexyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C2CC(C)CCC2C#N)C1
InChIInChI=1S/C16H26N2O2/c1-3-20-16(19)14-5-4-8-18(11-14)15-9-12(2)6-7-13(15)10-17/h12-15H,3-9,11H2,1-2H3
InChIKeyWXTZIGUJEKSBEQ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.59
Rot. Bonds3

About ethyl 1-(2-cyano-5-methylcyclohexyl)piperidine-3-carboxylate

ethyl 1-(2-cyano-5-methylcyclohexyl)piperidine-3-carboxylate (PubChem CID 43291772) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is ethyl 1-(2-cyano-5-methylcyclohexyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-cyano-5-methylcyclohexyl)piperidine-3-carboxylate
PubChem CID43291772
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Nameethyl 1-(2-cyano-5-methylcyclohexyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C2CC(C)CCC2C#N)C1
InChIInChI=1S/C16H26N2O2/c1-3-20-16(19)14-5-4-8-18(11-14)15-9-12(2)6-7-13(15)10-17/h12-15H,3-9,11H2,1-2H3
InChIKeyWXTZIGUJEKSBEQ-UHFFFAOYSA-N
XLogP2.59
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(2-cyano-5-ethylcyclohexyl)piperidine-3-carboxylate
CID 43291771
ethyl 1-(2-cyanocyclohexyl)piperidine-3-carboxylate
CID 43291775
2-(3-ethoxypiperidin-1-yl)-4-methylcyclohexane-1-carbonitrile
CID 54985301
ethyl (3R)-1-(3,5-dimethylcyclohexyl)piperidine-3-carboxylate
CID 115538019
ethyl 1-cyclopentylpiperidine-3-carboxylate
CID 62025944
ethyl (3S)-1-hydroxypiperidine-3-carboxylate
CID 142359331
ethyl (3R)-1-methylpiperidine-3-carboxylate
CID 736036
ethyl (3S)-1-propylpiperidine-3-carboxylate
CID 51669174
ethyl 1-(4-ethylcyclohexyl)piperidine-3-carboxylate
CID 64775486
ethyl 1-(1-ethoxy-1-oxobutan-2-yl)piperidine-3-carboxylate
CID 64663416
ethyl (3R)-1-(3-methoxycyclohexyl)piperidine-3-carboxylate
CID 113331181
ethyl 1-(3-cyanopropyl)piperidine-3-carboxylate
CID 15598963

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-cyano-5-methylcyclohexyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(2-cyano-5-methylcyclohexyl)piperidine-3-carboxylate (CID 43291772) is ethyl 1-(2-cyano-5-methylcyclohexyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2-cyano-5-methylcyclohexyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(2-cyano-5-methylcyclohexyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C2CC(C)CCC2C#N)C1.
What is the InChIKey of ethyl 1-(2-cyano-5-methylcyclohexyl)piperidine-3-carboxylate?
The InChIKey is WXTZIGUJEKSBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-20-16(19)14-5-4-8-18(11-14)15-9-12(2)6-7-13(15)10-17/h12-15H,3-9,11H2,1-2H3.
What are the key properties of ethyl 1-(2-cyano-5-methylcyclohexyl)piperidine-3-carboxylate?
ethyl 1-(2-cyano-5-methylcyclohexyl)piperidine-3-carboxylate has a molecular weight of 278.40 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-cyano-5-methylcyclohexyl)piperidine-3-carboxylate is sourced from PubChem (CID 43291772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).