ethyl 4-methylpiperidine-4-carboxylate

C9H17NO2 — CID 19361805

IUPACethyl 4-methylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(C)CCNCC1
InChIInChI=1S/C9H17NO2/c1-3-12-8(11)9(2)4-6-10-7-5-9/h10H,3-7H2,1-2H3
InChIKeyYWXSWDQLJWHKMW-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.94
Rot. Bonds2

About ethyl 4-methylpiperidine-4-carboxylate

ethyl 4-methylpiperidine-4-carboxylate (PubChem CID 19361805) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is ethyl 4-methylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-methylpiperidine-4-carboxylate
PubChem CID19361805
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Nameethyl 4-methylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(C)CCNCC1
InChIInChI=1S/C9H17NO2/c1-3-12-8(11)9(2)4-6-10-7-5-9/h10H,3-7H2,1-2H3
InChIKeyYWXSWDQLJWHKMW-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 4-methylpiperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 4-piperidinecarboxylate
CID 70770
Methyl isonipecotate
CID 424914
Tert-butyl Piperidine-4-carboxylate
CID 1512676
Ethyl 4-methylpiperidine-4-carboxylate hydrochloride
CID 19361804
Ethyl 4-cyanopiperidine-4-carboxylate
CID 14294359
Ethyl 2-(piperidin-3-yl)acetate
CID 2760464
ethyl 2-[(3R)-piperidin-3-yl]acetate
CID 7161133
rac-methyl (3R,4R)-3-methylpiperidine-4-carboxylate hydrochloride
CID 14869355
Piperidine-4-carboxylic acid tert-butyl ester hydrochloride
CID 42614227
4-Ethylpiperidine-4-carboxylic acid hydrochloride
CID 50944202
4-Ethylpiperidine-4-carboxylic acid
CID 50944203
4-Piperidinylmethyl acetate hydrochloride
CID 53410152

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methylpiperidine-4-carboxylate?
The IUPAC name of ethyl 4-methylpiperidine-4-carboxylate (CID 19361805) is ethyl 4-methylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-methylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 4-methylpiperidine-4-carboxylate is CCOC(=O)C1(C)CCNCC1.
What is the InChIKey of ethyl 4-methylpiperidine-4-carboxylate?
The InChIKey is YWXSWDQLJWHKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-12-8(11)9(2)4-6-10-7-5-9/h10H,3-7H2,1-2H3.
What are the key properties of ethyl 4-methylpiperidine-4-carboxylate?
ethyl 4-methylpiperidine-4-carboxylate has a molecular weight of 171.24 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methylpiperidine-4-carboxylate is sourced from PubChem (CID 19361805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).