2-ethyl-3,4-dimethyl-5-phenylmethoxy-1-prop-2-enylpiperidine

C19H29NO — CID 58732890

IUPAC2-ethyl-3,4-dimethyl-5-phenylmethoxy-1-prop-2-enylpiperidine
SMILESC=CCN1CC(OCc2ccccc2)C(C)C(C)C1CC
InChIInChI=1S/C19H29NO/c1-5-12-20-13-19(16(4)15(3)18(20)6-2)21-14-17-10-8-7-9-11-17/h5,7-11,15-16,18-19H,1,6,12-14H2,2-4H3
InChIKeyQWIJYIXTJODNJW-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.12
Rot. Bonds6

About 2-ethyl-3,4-dimethyl-5-phenylmethoxy-1-prop-2-enylpiperidine

2-ethyl-3,4-dimethyl-5-phenylmethoxy-1-prop-2-enylpiperidine (PubChem CID 58732890) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-ethyl-3,4-dimethyl-5-phenylmethoxy-1-prop-2-enylpiperidine.

Molecular Properties

Compound Name2-ethyl-3,4-dimethyl-5-phenylmethoxy-1-prop-2-enylpiperidine
PubChem CID58732890
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name2-ethyl-3,4-dimethyl-5-phenylmethoxy-1-prop-2-enylpiperidine
SMILESC=CCN1CC(OCc2ccccc2)C(C)C(C)C1CC
InChIInChI=1S/C19H29NO/c1-5-12-20-13-19(16(4)15(3)18(20)6-2)21-14-17-10-8-7-9-11-17/h5,7-11,15-16,18-19H,1,6,12-14H2,2-4H3
InChIKeyQWIJYIXTJODNJW-UHFFFAOYSA-N
XLogP4.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.12
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

[(2R,3R,4S,5S)-3,4,5-tris(phenylmethoxy)-1-prop-2-enylpiperidin-2-yl]methanol
CID 11754618
(2S,3S,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-1-prop-2-enylpiperidine
CID 44820250
(3R,4R,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)-1-prop-2-enylazepane
CID 71658430
(2R,3R,4R)-2-[(Z)-2-phenylethenyl]-3,4-bis(phenylmethoxy)-1-prop-2-enylpyrrolidine
CID 45380156
(4S,5R)-3,3-dimethyl-5-phenylmethoxy-1-prop-2-enylpiperidin-4-ol
CID 11558157
(2R,3S,4S)-2-ethyl-3-methyl-4-phenylmethoxythiolane
CID 58320971
(2R,3S,4S)-2-ethyl-3-methyl-4-phenylmethoxyselenolane
CID 161051476
(3R,4S)-2,2-dimethyl-4-phenylmethoxy-1-prop-2-enylpyrrolidine-3-carbonitrile
CID 102175171
(1R,2S,4S)-2,4-dimethyl-3,5,6-tris(phenylmethoxy)cyclohexan-1-ol
CID 118000060
(2S,3R)-3-methoxy-2-phenyl-1-prop-2-enylazetidine
CID 102383032
4-phenylmethoxy-1-prop-2-enylpiperidine
CID 57075697
azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene
CID 66809677

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,4-dimethyl-5-phenylmethoxy-1-prop-2-enylpiperidine?
The IUPAC name of 2-ethyl-3,4-dimethyl-5-phenylmethoxy-1-prop-2-enylpiperidine (CID 58732890) is 2-ethyl-3,4-dimethyl-5-phenylmethoxy-1-prop-2-enylpiperidine.
What is the SMILES notation for 2-ethyl-3,4-dimethyl-5-phenylmethoxy-1-prop-2-enylpiperidine?
The canonical SMILES for 2-ethyl-3,4-dimethyl-5-phenylmethoxy-1-prop-2-enylpiperidine is C=CCN1CC(OCc2ccccc2)C(C)C(C)C1CC.
What is the InChIKey of 2-ethyl-3,4-dimethyl-5-phenylmethoxy-1-prop-2-enylpiperidine?
The InChIKey is QWIJYIXTJODNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-5-12-20-13-19(16(4)15(3)18(20)6-2)21-14-17-10-8-7-9-11-17/h5,7-11,15-16,18-19H,1,6,12-14H2,2-4H3.
What are the key properties of 2-ethyl-3,4-dimethyl-5-phenylmethoxy-1-prop-2-enylpiperidine?
2-ethyl-3,4-dimethyl-5-phenylmethoxy-1-prop-2-enylpiperidine has a molecular weight of 287.45 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,4-dimethyl-5-phenylmethoxy-1-prop-2-enylpiperidine is sourced from PubChem (CID 58732890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).