methyl 1-methyl-2-phenyl-3-prop-2-enylpiperidine-3-carboxylate

C17H23NO2 — CID 18722878

IUPACmethyl 1-methyl-2-phenyl-3-prop-2-enylpiperidine-3-carboxylate
SMILESC=CCC1(C(=O)OC)CCCN(C)C1c1ccccc1
InChIInChI=1S/C17H23NO2/c1-4-11-17(16(19)20-3)12-8-13-18(2)15(17)14-9-6-5-7-10-14/h4-7,9-10,15H,1,8,11-13H2,2-3H3
InChIKeyBZDADVROTQTCMG-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.19
Rot. Bonds4

About methyl 1-methyl-2-phenyl-3-prop-2-enylpiperidine-3-carboxylate

methyl 1-methyl-2-phenyl-3-prop-2-enylpiperidine-3-carboxylate (PubChem CID 18722878) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is methyl 1-methyl-2-phenyl-3-prop-2-enylpiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-2-phenyl-3-prop-2-enylpiperidine-3-carboxylate
PubChem CID18722878
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Namemethyl 1-methyl-2-phenyl-3-prop-2-enylpiperidine-3-carboxylate
SMILESC=CCC1(C(=O)OC)CCCN(C)C1c1ccccc1
InChIInChI=1S/C17H23NO2/c1-4-11-17(16(19)20-3)12-8-13-18(2)15(17)14-9-6-5-7-10-14/h4-7,9-10,15H,1,8,11-13H2,2-3H3
InChIKeyBZDADVROTQTCMG-UHFFFAOYSA-N
XLogP3.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 30131
Troparil
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CID 32329
methyl (2S,3S,5R)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-2-carboxylate
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methyl (3S,4S)-4-(4-ethenylphenyl)-1-methylpiperidine-3-carboxylate
CID 10377864
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Ethyl (1R,2S)-2-(dimethylamino)-1-phenyl-3-cyclohexene-1-carboxylate
CID 12546498
(R)-((R)-1-Methyl-piperidin-2-yl)-m-tolyl-acetic acid methyl ester
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(+/-)-threo-N-(2-Phenylethyl)methylphenidate
CID 52943716
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(+/-)-threo-N-Allylmethylphenidate
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Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-2-phenyl-3-prop-2-enylpiperidine-3-carboxylate?
The IUPAC name of methyl 1-methyl-2-phenyl-3-prop-2-enylpiperidine-3-carboxylate (CID 18722878) is methyl 1-methyl-2-phenyl-3-prop-2-enylpiperidine-3-carboxylate.
What is the SMILES notation for methyl 1-methyl-2-phenyl-3-prop-2-enylpiperidine-3-carboxylate?
The canonical SMILES for methyl 1-methyl-2-phenyl-3-prop-2-enylpiperidine-3-carboxylate is C=CCC1(C(=O)OC)CCCN(C)C1c1ccccc1.
What is the InChIKey of methyl 1-methyl-2-phenyl-3-prop-2-enylpiperidine-3-carboxylate?
The InChIKey is BZDADVROTQTCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-4-11-17(16(19)20-3)12-8-13-18(2)15(17)14-9-6-5-7-10-14/h4-7,9-10,15H,1,8,11-13H2,2-3H3.
What are the key properties of methyl 1-methyl-2-phenyl-3-prop-2-enylpiperidine-3-carboxylate?
methyl 1-methyl-2-phenyl-3-prop-2-enylpiperidine-3-carboxylate has a molecular weight of 273.38 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-2-phenyl-3-prop-2-enylpiperidine-3-carboxylate is sourced from PubChem (CID 18722878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).