methyl piperidine-4-carboxylate;hydrochloride

C7H14ClNO2 — CID 18783829

IUPACmethyl piperidine-4-carboxylate;hydrochloride
SMILESCOC(=O)C1CCNCC1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-10-7(9)6-2-4-8-5-3-6;/h6,8H,2-5H2,1H3;1H
InChIKeyXAVNWNCTXQDFLF-UHFFFAOYSA-N
MW179.65 g/mol
LogP0.58
Rot. Bonds1

About methyl piperidine-4-carboxylate;hydrochloride

methyl piperidine-4-carboxylate;hydrochloride (PubChem CID 18783829) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is methyl piperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl piperidine-4-carboxylate;hydrochloride
PubChem CID18783829
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Namemethyl piperidine-4-carboxylate;hydrochloride
SMILESCOC(=O)C1CCNCC1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-10-7(9)6-2-4-8-5-3-6;/h6,8H,2-5H2,1H3;1H
InChIKeyXAVNWNCTXQDFLF-UHFFFAOYSA-N
XLogP0.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl piperidine-4-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

Related Compounds

methyl cyclohexanecarboxylate;methyl piperidine-4-carboxylate
CID 158261910
methyl (4R)-azepane-4-carboxylate
CID 45090253
methyl pyrrolidine-3-carboxylate
CID 4114360
methyl 2-piperidin-4-ylpiperidine-4-carboxylate
CID 105484069
methyl 3-piperidin-4-yloxycyclobutane-1-carboxylate
CID 146340071
piperidine-4-carboperoxoic acid
CID 19094880
methyl (3S)-piperidine-3-carboxylate;hydrochloride
CID 57345867
methyl 2-methylpiperidine-4-carboxylate;hydrochloride
CID 121333420
dimethyl cycloheptane-1,4-dicarboxylate
CID 139878536
methyl cyclobutanecarboxylate;hydrate
CID 175300594
methylsulfonyl piperidine-4-carboxylate
CID 87607716
methyl 1-piperidin-4-ylpiperidine-3-carboxylate
CID 44607682

Frequently Asked Questions

What is the IUPAC name of methyl piperidine-4-carboxylate;hydrochloride?
The IUPAC name of methyl piperidine-4-carboxylate;hydrochloride (CID 18783829) is methyl piperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for methyl piperidine-4-carboxylate;hydrochloride?
The canonical SMILES for methyl piperidine-4-carboxylate;hydrochloride is COC(=O)C1CCNCC1.Cl.
What is the InChIKey of methyl piperidine-4-carboxylate;hydrochloride?
The InChIKey is XAVNWNCTXQDFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c1-10-7(9)6-2-4-8-5-3-6;/h6,8H,2-5H2,1H3;1H.
What are the key properties of methyl piperidine-4-carboxylate;hydrochloride?
methyl piperidine-4-carboxylate;hydrochloride has a molecular weight of 179.65 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl piperidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 18783829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).