methyl 3-[(3R)-3-prop-2-enylpiperidin-3-yl]propanoate

C12H21NO2 — CID 89318287

IUPACmethyl 3-[(3R)-3-prop-2-enylpiperidin-3-yl]propanoate
SMILESC=CC[C@]1(CCC(=O)OC)CCCNC1
InChIInChI=1S/C12H21NO2/c1-3-6-12(7-4-9-13-10-12)8-5-11(14)15-2/h3,13H,1,4-10H2,2H3/t12-/m1/s1
InChIKeyQQXVECRIJJGCQK-GFCCVEGCSA-N
MW211.30 g/mol
LogP1.89
Rot. Bonds5

About methyl 3-[(3R)-3-prop-2-enylpiperidin-3-yl]propanoate

methyl 3-[(3R)-3-prop-2-enylpiperidin-3-yl]propanoate (PubChem CID 89318287) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is methyl 3-[(3R)-3-prop-2-enylpiperidin-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3R)-3-prop-2-enylpiperidin-3-yl]propanoate
PubChem CID89318287
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Namemethyl 3-[(3R)-3-prop-2-enylpiperidin-3-yl]propanoate
SMILESC=CC[C@]1(CCC(=O)OC)CCCNC1
InChIInChI=1S/C12H21NO2/c1-3-6-12(7-4-9-13-10-12)8-5-11(14)15-2/h3,13H,1,4-10H2,2H3/t12-/m1/s1
InChIKeyQQXVECRIJJGCQK-GFCCVEGCSA-N
XLogP1.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.89
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 3-[(3R)-3-prop-2-enylpiperidin-3-yl]propanoate?
The IUPAC name of methyl 3-[(3R)-3-prop-2-enylpiperidin-3-yl]propanoate (CID 89318287) is methyl 3-[(3R)-3-prop-2-enylpiperidin-3-yl]propanoate.
What is the SMILES notation for methyl 3-[(3R)-3-prop-2-enylpiperidin-3-yl]propanoate?
The canonical SMILES for methyl 3-[(3R)-3-prop-2-enylpiperidin-3-yl]propanoate is C=CC[C@]1(CCC(=O)OC)CCCNC1.
What is the InChIKey of methyl 3-[(3R)-3-prop-2-enylpiperidin-3-yl]propanoate?
The InChIKey is QQXVECRIJJGCQK-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H21NO2/c1-3-6-12(7-4-9-13-10-12)8-5-11(14)15-2/h3,13H,1,4-10H2,2H3/t12-/m1/s1.
What are the key properties of methyl 3-[(3R)-3-prop-2-enylpiperidin-3-yl]propanoate?
methyl 3-[(3R)-3-prop-2-enylpiperidin-3-yl]propanoate has a molecular weight of 211.30 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3R)-3-prop-2-enylpiperidin-3-yl]propanoate is sourced from PubChem (CID 89318287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).