prop-2-enyl piperidine-1-carboxylate;hydrochloride

C9H16ClNO2 — CID 139812322

IUPACprop-2-enyl piperidine-1-carboxylate;hydrochloride
SMILESC=CCOC(=O)N1CCCCC1.Cl
InChIInChI=1S/C9H15NO2.ClH/c1-2-8-12-9(11)10-6-4-3-5-7-10;/h2H,1,3-8H2;1H
InChIKeyVVWMXZJTDHQVSG-UHFFFAOYSA-N
MW205.68 g/mol
LogP2.22
Rot. Bonds2

About prop-2-enyl piperidine-1-carboxylate;hydrochloride

prop-2-enyl piperidine-1-carboxylate;hydrochloride (PubChem CID 139812322) has the molecular formula C9H16ClNO2 and a molecular weight of 205.68 g/mol. Its IUPAC name is prop-2-enyl piperidine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nameprop-2-enyl piperidine-1-carboxylate;hydrochloride
PubChem CID139812322
Molecular FormulaC9H16ClNO2
Molecular Weight205.68 g/mol
Exact Mass205.09
IUPAC Nameprop-2-enyl piperidine-1-carboxylate;hydrochloride
SMILESC=CCOC(=O)N1CCCCC1.Cl
InChIInChI=1S/C9H15NO2.ClH/c1-2-8-12-9(11)10-6-4-3-5-7-10;/h2H,1,3-8H2;1H
InChIKeyVVWMXZJTDHQVSG-UHFFFAOYSA-N
XLogP2.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.68
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl azacycloundecane-1-carboxylate
CID 67670496
prop-2-enyl 4-iodopiperidine-1-carboxylate
CID 130407658
fluoromethyl piperidine-1-carboxylate
CID 141168732
prop-2-enyl 4-(2-aminoethyl)piperazine-1-carboxylate
CID 127503309
2-aminoethyl piperidine-1-carboxylate
CID 58684414
2-cyclopropylethyl piperidine-1-carboxylate
CID 142778075
prop-2-enyl 4-(1-hydroxyethyl)piperazine-1-carboxylate
CID 70468827
ethyl pyrrolidine-1-carboxylate;methanol
CID 153400940
propyl azepane-1-carboxylate
CID 91585333
2,2-difluoroethyl piperidine-1-carboxylate
CID 91056424
prop-2-enyl 2-carbamoylpyrazolidine-1-carboxylate
CID 70521278
prop-2-enyl 3-oxopyrrolidine-1-carboxylate
CID 15117217

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl piperidine-1-carboxylate;hydrochloride?
The IUPAC name of prop-2-enyl piperidine-1-carboxylate;hydrochloride (CID 139812322) is prop-2-enyl piperidine-1-carboxylate;hydrochloride.
What is the SMILES notation for prop-2-enyl piperidine-1-carboxylate;hydrochloride?
The canonical SMILES for prop-2-enyl piperidine-1-carboxylate;hydrochloride is C=CCOC(=O)N1CCCCC1.Cl.
What is the InChIKey of prop-2-enyl piperidine-1-carboxylate;hydrochloride?
The InChIKey is VVWMXZJTDHQVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2.ClH/c1-2-8-12-9(11)10-6-4-3-5-7-10;/h2H,1,3-8H2;1H.
What are the key properties of prop-2-enyl piperidine-1-carboxylate;hydrochloride?
prop-2-enyl piperidine-1-carboxylate;hydrochloride has a molecular weight of 205.68 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl piperidine-1-carboxylate;hydrochloride is sourced from PubChem (CID 139812322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).