prop-2-enyl 4-(1-hydroxypropyl)piperidine-1-carboxylate

C12H21NO3 — CID 15117274

IUPACprop-2-enyl 4-(1-hydroxypropyl)piperidine-1-carboxylate
SMILESC=CCOC(=O)N1CCC(C(O)CC)CC1
InChIInChI=1S/C12H21NO3/c1-3-9-16-12(15)13-7-5-10(6-8-13)11(14)4-2/h3,10-11,14H,1,4-9H2,2H3
InChIKeyRXAQZXINMFLWBG-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.79
Rot. Bonds4

About prop-2-enyl 4-(1-hydroxypropyl)piperidine-1-carboxylate

prop-2-enyl 4-(1-hydroxypropyl)piperidine-1-carboxylate (PubChem CID 15117274) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is prop-2-enyl 4-(1-hydroxypropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 4-(1-hydroxypropyl)piperidine-1-carboxylate
PubChem CID15117274
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Nameprop-2-enyl 4-(1-hydroxypropyl)piperidine-1-carboxylate
SMILESC=CCOC(=O)N1CCC(C(O)CC)CC1
InChIInChI=1S/C12H21NO3/c1-3-9-16-12(15)13-7-5-10(6-8-13)11(14)4-2/h3,10-11,14H,1,4-9H2,2H3
InChIKeyRXAQZXINMFLWBG-UHFFFAOYSA-N
XLogP1.79
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.79
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 prop-2-enyl 4-(1-hydroxypropyl)piperidine-1-carboxylate?
The IUPAC name of prop-2-enyl 4-(1-hydroxypropyl)piperidine-1-carboxylate (CID 15117274) is prop-2-enyl 4-(1-hydroxypropyl)piperidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 4-(1-hydroxypropyl)piperidine-1-carboxylate?
The canonical SMILES for prop-2-enyl 4-(1-hydroxypropyl)piperidine-1-carboxylate is C=CCOC(=O)N1CCC(C(O)CC)CC1.
What is the InChIKey of prop-2-enyl 4-(1-hydroxypropyl)piperidine-1-carboxylate?
The InChIKey is RXAQZXINMFLWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-3-9-16-12(15)13-7-5-10(6-8-13)11(14)4-2/h3,10-11,14H,1,4-9H2,2H3.
What are the key properties of prop-2-enyl 4-(1-hydroxypropyl)piperidine-1-carboxylate?
prop-2-enyl 4-(1-hydroxypropyl)piperidine-1-carboxylate has a molecular weight of 227.30 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-(1-hydroxypropyl)piperidine-1-carboxylate is sourced from PubChem (CID 15117274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).