ethyl 4-cyano-3-methylpiperidine-3-carboxylate;hydrochloride

C10H17ClN2O2 — CID 177208929

IUPACethyl 4-cyano-3-methylpiperidine-3-carboxylate;hydrochloride
SMILESCCOC(=O)C1(C)CNCCC1C#N.Cl
InChIInChI=1S/C10H16N2O2.ClH/c1-3-14-9(13)10(2)7-12-5-4-8(10)6-11;/h8,12H,3-5,7H2,1-2H3;1H
InChIKeySBRMUTSVAMAQGU-UHFFFAOYSA-N
MW232.71 g/mol
LogP1.11
Rot. Bonds2

About ethyl 4-cyano-3-methylpiperidine-3-carboxylate;hydrochloride

ethyl 4-cyano-3-methylpiperidine-3-carboxylate;hydrochloride (PubChem CID 177208929) has the molecular formula C10H17ClN2O2 and a molecular weight of 232.71 g/mol. Its IUPAC name is ethyl 4-cyano-3-methylpiperidine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-cyano-3-methylpiperidine-3-carboxylate;hydrochloride
PubChem CID177208929
Molecular FormulaC10H17ClN2O2
Molecular Weight232.71 g/mol
Exact Mass232.10
IUPAC Nameethyl 4-cyano-3-methylpiperidine-3-carboxylate;hydrochloride
SMILESCCOC(=O)C1(C)CNCCC1C#N.Cl
InChIInChI=1S/C10H16N2O2.ClH/c1-3-14-9(13)10(2)7-12-5-4-8(10)6-11;/h8,12H,3-5,7H2,1-2H3;1H
InChIKeySBRMUTSVAMAQGU-UHFFFAOYSA-N
XLogP1.11
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 1-piperidin-4-ylcyclopropane-1-carboxylate;hydrochloride
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ethyl (3S)-3-methylazepane-3-carboxylate
CID 124785367
diethyl 1,2,3-trimethylcyclopentane-1,3-dicarboxylate
CID 143831911
ethyl 2-azabicyclo[3.1.0]hexane-1-carboxylate;hydrochloride
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ethyl 3,3-difluoropiperidine-4-carboxylate
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ethyl 1-amino-3-cyanocyclopentane-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyano-3-methylpiperidine-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-cyano-3-methylpiperidine-3-carboxylate;hydrochloride (CID 177208929) is ethyl 4-cyano-3-methylpiperidine-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-cyano-3-methylpiperidine-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-cyano-3-methylpiperidine-3-carboxylate;hydrochloride is CCOC(=O)C1(C)CNCCC1C#N.Cl.
What is the InChIKey of ethyl 4-cyano-3-methylpiperidine-3-carboxylate;hydrochloride?
The InChIKey is SBRMUTSVAMAQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2.ClH/c1-3-14-9(13)10(2)7-12-5-4-8(10)6-11;/h8,12H,3-5,7H2,1-2H3;1H.
What are the key properties of ethyl 4-cyano-3-methylpiperidine-3-carboxylate;hydrochloride?
ethyl 4-cyano-3-methylpiperidine-3-carboxylate;hydrochloride has a molecular weight of 232.71 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-cyano-3-methylpiperidine-3-carboxylate;hydrochloride is sourced from PubChem (CID 177208929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).