methyl 4-ethenylpiperidine-4-carboxylate;hydrochloride

C9H16ClNO2 — CID 146095130

IUPACmethyl 4-ethenylpiperidine-4-carboxylate;hydrochloride
SMILESC=CC1(C(=O)OC)CCNCC1.Cl
InChIInChI=1S/C9H15NO2.ClH/c1-3-9(8(11)12-2)4-6-10-7-5-9;/h3,10H,1,4-7H2,2H3;1H
InChIKeyYTRBGVCAYZHOTO-UHFFFAOYSA-N
MW205.68 g/mol
LogP1.14
Rot. Bonds2

About methyl 4-ethenylpiperidine-4-carboxylate;hydrochloride

methyl 4-ethenylpiperidine-4-carboxylate;hydrochloride (PubChem CID 146095130) has the molecular formula C9H16ClNO2 and a molecular weight of 205.68 g/mol. Its IUPAC name is methyl 4-ethenylpiperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-ethenylpiperidine-4-carboxylate;hydrochloride
PubChem CID146095130
Molecular FormulaC9H16ClNO2
Molecular Weight205.68 g/mol
Exact Mass205.09
IUPAC Namemethyl 4-ethenylpiperidine-4-carboxylate;hydrochloride
SMILESC=CC1(C(=O)OC)CCNCC1.Cl
InChIInChI=1S/C9H15NO2.ClH/c1-3-9(8(11)12-2)4-6-10-7-5-9;/h3,10H,1,4-7H2,2H3;1H
InChIKeyYTRBGVCAYZHOTO-UHFFFAOYSA-N
XLogP1.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.68
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 4-ethenylpiperidine-4-carboxylate;hydrochloride?
The IUPAC name of methyl 4-ethenylpiperidine-4-carboxylate;hydrochloride (CID 146095130) is methyl 4-ethenylpiperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for methyl 4-ethenylpiperidine-4-carboxylate;hydrochloride?
The canonical SMILES for methyl 4-ethenylpiperidine-4-carboxylate;hydrochloride is C=CC1(C(=O)OC)CCNCC1.Cl.
What is the InChIKey of methyl 4-ethenylpiperidine-4-carboxylate;hydrochloride?
The InChIKey is YTRBGVCAYZHOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2.ClH/c1-3-9(8(11)12-2)4-6-10-7-5-9;/h3,10H,1,4-7H2,2H3;1H.
What are the key properties of methyl 4-ethenylpiperidine-4-carboxylate;hydrochloride?
methyl 4-ethenylpiperidine-4-carboxylate;hydrochloride has a molecular weight of 205.68 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethenylpiperidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 146095130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).