3-[(R)-3-methoxypropoxy-(2-prop-2-enylphenyl)methyl]piperidine

C19H29NO2 — CID 67191204

IUPAC3-[(R)-3-methoxypropoxy-(2-prop-2-enylphenyl)methyl]piperidine
SMILESC=CCc1ccccc1[C@H](OCCCOC)C1CCCNC1
InChIInChI=1S/C19H29NO2/c1-3-8-16-9-4-5-11-18(16)19(22-14-7-13-21-2)17-10-6-12-20-15-17/h3-5,9,11,17,19-20H,1,6-8,10,12-15H2,2H3/t17?,19-/m1/s1
InChIKeyKBJDDMAZJSIUDO-WHCXFUJUSA-N
MW303.45 g/mol
LogP3.51
Rot. Bonds9

About 3-[(R)-3-methoxypropoxy-(2-prop-2-enylphenyl)methyl]piperidine

3-[(R)-3-methoxypropoxy-(2-prop-2-enylphenyl)methyl]piperidine (PubChem CID 67191204) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 3-[(R)-3-methoxypropoxy-(2-prop-2-enylphenyl)methyl]piperidine.

Molecular Properties

Compound Name3-[(R)-3-methoxypropoxy-(2-prop-2-enylphenyl)methyl]piperidine
PubChem CID67191204
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name3-[(R)-3-methoxypropoxy-(2-prop-2-enylphenyl)methyl]piperidine
SMILESC=CCc1ccccc1[C@H](OCCCOC)C1CCCNC1
InChIInChI=1S/C19H29NO2/c1-3-8-16-9-4-5-11-18(16)19(22-14-7-13-21-2)17-10-6-12-20-15-17/h3-5,9,11,17,19-20H,1,6-8,10,12-15H2,2H3/t17?,19-/m1/s1
InChIKeyKBJDDMAZJSIUDO-WHCXFUJUSA-N
XLogP3.51
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(R)-3-methoxypropoxy-(2-phenylphenyl)methyl]piperidine
CID 67193405
(3R)-3-[3-ethoxypropoxy(phenyl)methyl]piperidine
CID 67190399
3-[4-methoxybutoxy(phenyl)methyl]piperidine;4-methoxy-1-phenyl-1-piperidin-3-ylbutan-1-ol
CID 69470017
(3R)-3-[(R)-[2-(2-cyclopropylethynyl)phenyl]-(3-methoxypropoxy)methyl]piperidine;(1S)-5-methoxy-1-[(3R)-piperidin-3-yl]-1-quinolin-8-ylpentan-1-ol
CID 158206424
2-[(2,3-difluorophenyl)-piperidin-3-ylmethoxy]ethanol
CID 70639511
(3R)-3-[2-cyclopropylethoxy(phenyl)methyl]piperidine
CID 67190238
(3R)-3-[(R)-3-ethoxypropoxy-(3-fluorophenyl)methyl]piperidine
CID 67192571
cyclohexyl-(2-prop-2-enylphenyl)methanol
CID 102302622
3-[3-ethoxypropoxy(phenyl)methyl]pyrrolidine
CID 57419610
methyl N-[2-[(2,3-difluorophenyl)-piperidin-3-ylmethoxy]ethyl]carbamate
CID 68715059
[7-[(1S)-5-methoxy-1-[(3R)-piperidin-3-yl]pentyl]-1-benzofuran-2-yl]-trimethylsilane
CID 68850037
(3R)-3-[(1S)-5-methoxy-1-spiro[1,3-benzodioxole-2,1'-cyclohexane]-4-ylpentyl]piperidine
CID 68990421

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-3-methoxypropoxy-(2-prop-2-enylphenyl)methyl]piperidine?
The IUPAC name of 3-[(R)-3-methoxypropoxy-(2-prop-2-enylphenyl)methyl]piperidine (CID 67191204) is 3-[(R)-3-methoxypropoxy-(2-prop-2-enylphenyl)methyl]piperidine.
What is the SMILES notation for 3-[(R)-3-methoxypropoxy-(2-prop-2-enylphenyl)methyl]piperidine?
The canonical SMILES for 3-[(R)-3-methoxypropoxy-(2-prop-2-enylphenyl)methyl]piperidine is C=CCc1ccccc1[C@H](OCCCOC)C1CCCNC1.
What is the InChIKey of 3-[(R)-3-methoxypropoxy-(2-prop-2-enylphenyl)methyl]piperidine?
The InChIKey is KBJDDMAZJSIUDO-WHCXFUJUSA-N. The full InChI is InChI=1S/C19H29NO2/c1-3-8-16-9-4-5-11-18(16)19(22-14-7-13-21-2)17-10-6-12-20-15-17/h3-5,9,11,17,19-20H,1,6-8,10,12-15H2,2H3/t17?,19-/m1/s1.
What are the key properties of 3-[(R)-3-methoxypropoxy-(2-prop-2-enylphenyl)methyl]piperidine?
3-[(R)-3-methoxypropoxy-(2-prop-2-enylphenyl)methyl]piperidine has a molecular weight of 303.45 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(R)-3-methoxypropoxy-(2-prop-2-enylphenyl)methyl]piperidine is sourced from PubChem (CID 67191204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).