ethyl (3R)-1-methylpiperidine-3-carboxylate

C9H17NO2 — CID 736036

IUPACethyl (3R)-1-methylpiperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C)C1
InChIInChI=1S/C9H17NO2/c1-3-12-9(11)8-5-4-6-10(2)7-8/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyVFJJNMLPRDRTCO-MRVPVSSYSA-N
MW171.24 g/mol
LogP0.89
Rot. Bonds2

About ethyl (3R)-1-methylpiperidine-3-carboxylate

ethyl (3R)-1-methylpiperidine-3-carboxylate (PubChem CID 736036) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is ethyl (3R)-1-methylpiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-methylpiperidine-3-carboxylate
PubChem CID736036
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Nameethyl (3R)-1-methylpiperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C)C1
InChIInChI=1S/C9H17NO2/c1-3-12-9(11)8-5-4-6-10(2)7-8/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyVFJJNMLPRDRTCO-MRVPVSSYSA-N
XLogP0.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl (3R)-1-methylpiperidine-3-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 1-methylpyrrolidine-3-carboxylate
CID 21202735
ethyl (3S)-1-hydroxypiperidine-3-carboxylate
CID 142359331
ethyl (3S)-1-propylpiperidine-3-carboxylate
CID 51669174
ethyl (3R)-1-(cyclopropylmethyl)piperidine-3-carboxylate
CID 81338188
ethyl 1-cyclopentylpiperidine-3-carboxylate
CID 62025944
ethyl 4-[(3S)-1-methylpiperidine-3-carbonyl]piperazine-1-carboxylate
CID 96588659
ethyl (3R)-1-(2-fluoroethyl)piperidine-3-carboxylate
CID 81361898
ethyl 1-(2-cyclohexylethyl)piperidine-3-carboxylate
CID 113246394
ethyl 1-(4-ethylcyclohexyl)piperidine-3-carboxylate
CID 64775486
ethyl (3S)-1-hexylpiperidine-3-carboxylate
CID 81337885
ethyl 1-(2-cyclopropylacetyl)piperidine-3-carboxylate
CID 43424044
3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate
CID 51681874

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-methylpiperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-methylpiperidine-3-carboxylate (CID 736036) is ethyl (3R)-1-methylpiperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-methylpiperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-methylpiperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(C)C1.
What is the InChIKey of ethyl (3R)-1-methylpiperidine-3-carboxylate?
The InChIKey is VFJJNMLPRDRTCO-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-12-9(11)8-5-4-6-10(2)7-8/h8H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of ethyl (3R)-1-methylpiperidine-3-carboxylate?
ethyl (3R)-1-methylpiperidine-3-carboxylate has a molecular weight of 171.24 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-methylpiperidine-3-carboxylate is sourced from PubChem (CID 736036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).