3,5-dimethyl-1-[3-(4-prop-1-en-2-ylphenoxy)propyl]piperidine

C19H29NO — CID 23150286

IUPAC3,5-dimethyl-1-[3-(4-prop-1-en-2-ylphenoxy)propyl]piperidine
SMILESC=C(C)c1ccc(OCCCN2CC(C)CC(C)C2)cc1
InChIInChI=1S/C19H29NO/c1-15(2)18-6-8-19(9-7-18)21-11-5-10-20-13-16(3)12-17(4)14-20/h6-9,16-17H,1,5,10-14H2,2-4H3
InChIKeyFDOBDDBNONIOBN-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.47
Rot. Bonds6

About 3,5-dimethyl-1-[3-(4-prop-1-en-2-ylphenoxy)propyl]piperidine

3,5-dimethyl-1-[3-(4-prop-1-en-2-ylphenoxy)propyl]piperidine (PubChem CID 23150286) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 3,5-dimethyl-1-[3-(4-prop-1-en-2-ylphenoxy)propyl]piperidine.

Molecular Properties

Compound Name3,5-dimethyl-1-[3-(4-prop-1-en-2-ylphenoxy)propyl]piperidine
PubChem CID23150286
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name3,5-dimethyl-1-[3-(4-prop-1-en-2-ylphenoxy)propyl]piperidine
SMILESC=C(C)c1ccc(OCCCN2CC(C)CC(C)C2)cc1
InChIInChI=1S/C19H29NO/c1-15(2)18-6-8-19(9-7-18)21-11-5-10-20-13-16(3)12-17(4)14-20/h6-9,16-17H,1,5,10-14H2,2-4H3
InChIKeyFDOBDDBNONIOBN-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]butoxy]phenyl]ethanone
CID 7380050
(3S,5S)-3,5-dimethyl-1-[3-[4-(4-methylphenyl)phenoxy]propyl]piperidine
CID 11979093
methyl 4-[3-(3,5-dimethylpiperidin-1-yl)propoxy]benzoate
CID 23150262
(3S,5S)-1-[3-(4-ethoxyphenoxy)propyl]-3,5-dimethylpiperidine
CID 2184451
1-[4-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]ethanone
CID 7380342
3,5-dimethyl-1-[3-(4-phenylphenoxy)propyl]piperidine
CID 23150265
4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]benzohydrazide
CID 63569886
4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide
CID 61299047
1-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propoxy]phenyl]ethanone
CID 7380535
1-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]ethanone
CID 7067763
(5S)-1-[3-[4-(3,4-dihydro-2H-pyrrol-5-yl)phenoxy]propyl]-3,5-dimethylpiperidine
CID 69108440
1-(3-methoxypropoxy)-4-prop-1-en-2-ylbenzene
CID 139799938

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[3-(4-prop-1-en-2-ylphenoxy)propyl]piperidine?
The IUPAC name of 3,5-dimethyl-1-[3-(4-prop-1-en-2-ylphenoxy)propyl]piperidine (CID 23150286) is 3,5-dimethyl-1-[3-(4-prop-1-en-2-ylphenoxy)propyl]piperidine.
What is the SMILES notation for 3,5-dimethyl-1-[3-(4-prop-1-en-2-ylphenoxy)propyl]piperidine?
The canonical SMILES for 3,5-dimethyl-1-[3-(4-prop-1-en-2-ylphenoxy)propyl]piperidine is C=C(C)c1ccc(OCCCN2CC(C)CC(C)C2)cc1.
What is the InChIKey of 3,5-dimethyl-1-[3-(4-prop-1-en-2-ylphenoxy)propyl]piperidine?
The InChIKey is FDOBDDBNONIOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-15(2)18-6-8-19(9-7-18)21-11-5-10-20-13-16(3)12-17(4)14-20/h6-9,16-17H,1,5,10-14H2,2-4H3.
What are the key properties of 3,5-dimethyl-1-[3-(4-prop-1-en-2-ylphenoxy)propyl]piperidine?
3,5-dimethyl-1-[3-(4-prop-1-en-2-ylphenoxy)propyl]piperidine has a molecular weight of 287.45 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[3-(4-prop-1-en-2-ylphenoxy)propyl]piperidine is sourced from PubChem (CID 23150286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).