methyl 3-ethylpiperidine-3-carboxylate;hydrochloride

C9H18ClNO2 — CID 75531035

IUPACmethyl 3-ethylpiperidine-3-carboxylate;hydrochloride
SMILESCCC1(C(=O)OC)CCCNC1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-3-9(8(11)12-2)5-4-6-10-7-9;/h10H,3-7H2,1-2H3;1H
InChIKeyUZWWAKIGBQODKA-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.36
Rot. Bonds2

About methyl 3-ethylpiperidine-3-carboxylate;hydrochloride

methyl 3-ethylpiperidine-3-carboxylate;hydrochloride (PubChem CID 75531035) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is methyl 3-ethylpiperidine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-ethylpiperidine-3-carboxylate;hydrochloride
PubChem CID75531035
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Namemethyl 3-ethylpiperidine-3-carboxylate;hydrochloride
SMILESCCC1(C(=O)OC)CCCNC1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-3-9(8(11)12-2)5-4-6-10-7-9;/h10H,3-7H2,1-2H3;1H
InChIKeyUZWWAKIGBQODKA-UHFFFAOYSA-N
XLogP1.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 3-ethylpiperidine-3-carboxylate;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-ethylpiperidine-3-carboxylate;hydrochloride?
The IUPAC name of methyl 3-ethylpiperidine-3-carboxylate;hydrochloride (CID 75531035) is methyl 3-ethylpiperidine-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 3-ethylpiperidine-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 3-ethylpiperidine-3-carboxylate;hydrochloride is CCC1(C(=O)OC)CCCNC1.Cl.
What is the InChIKey of methyl 3-ethylpiperidine-3-carboxylate;hydrochloride?
The InChIKey is UZWWAKIGBQODKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.ClH/c1-3-9(8(11)12-2)5-4-6-10-7-9;/h10H,3-7H2,1-2H3;1H.
What are the key properties of methyl 3-ethylpiperidine-3-carboxylate;hydrochloride?
methyl 3-ethylpiperidine-3-carboxylate;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethylpiperidine-3-carboxylate;hydrochloride is sourced from PubChem (CID 75531035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).