methyl (3S)-piperidine-3-carboxylate;hydrochloride

C7H14ClNO2 — CID 57345867

IUPACmethyl (3S)-piperidine-3-carboxylate;hydrochloride
SMILESCOC(=O)[C@H]1CCCNC1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-10-7(9)6-3-2-4-8-5-6;/h6,8H,2-5H2,1H3;1H/t6-;/m0./s1
InChIKeyBQQZKNAQDKIGGZ-RGMNGODLSA-N
MW179.65 g/mol
LogP0.58
Rot. Bonds1

About methyl (3S)-piperidine-3-carboxylate;hydrochloride

methyl (3S)-piperidine-3-carboxylate;hydrochloride (PubChem CID 57345867) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is methyl (3S)-piperidine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl (3S)-piperidine-3-carboxylate;hydrochloride
PubChem CID57345867
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Namemethyl (3S)-piperidine-3-carboxylate;hydrochloride
SMILESCOC(=O)[C@H]1CCCNC1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-10-7(9)6-3-2-4-8-5-6;/h6,8H,2-5H2,1H3;1H/t6-;/m0./s1
InChIKeyBQQZKNAQDKIGGZ-RGMNGODLSA-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 (3S)-piperidine-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

Related Compounds

methyl piperidine-3-carboxylate;2,2,2-trifluoroacetic acid
CID 174559778
methyl pyrrolidine-3-carboxylate
CID 4114360
methyl (4R)-azepane-4-carboxylate
CID 45090253
ethyl piperidine-3-carboxylate;tetrahydrochloride
CID 141165575
di(piperidin-3-yl)methanone
CID 69183047
cyclopentyl piperidine-3-carboxylate
CID 61278605
methyl piperidine-4-carboxylate;hydrochloride
CID 18783829
cyclobutyl-[(3R)-piperidin-3-yl]methanone
CID 124604189
2-[2-(2-methoxyethoxy)ethoxy]ethyl piperidine-3-carboxylate
CID 104563241
methyl cyclohexanecarboxylate;methyl piperidine-4-carboxylate
CID 158261910
cyclohexyl (3S)-piperidine-3-carboxylate
CID 81126068
N-ethylpiperidine-3-carboxamide;hydrochloride
CID 53410852

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-piperidine-3-carboxylate;hydrochloride?
The IUPAC name of methyl (3S)-piperidine-3-carboxylate;hydrochloride (CID 57345867) is methyl (3S)-piperidine-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl (3S)-piperidine-3-carboxylate;hydrochloride?
The canonical SMILES for methyl (3S)-piperidine-3-carboxylate;hydrochloride is COC(=O)[C@H]1CCCNC1.Cl.
What is the InChIKey of methyl (3S)-piperidine-3-carboxylate;hydrochloride?
The InChIKey is BQQZKNAQDKIGGZ-RGMNGODLSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c1-10-7(9)6-3-2-4-8-5-6;/h6,8H,2-5H2,1H3;1H/t6-;/m0./s1.
What are the key properties of methyl (3S)-piperidine-3-carboxylate;hydrochloride?
methyl (3S)-piperidine-3-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 (3S)-piperidine-3-carboxylate;hydrochloride is sourced from PubChem (CID 57345867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).