1-methyl-4-(1-propan-2-yloxyethenyl)-4-prop-2-enylpiperidine

C14H25NO — CID 163236418

IUPAC1-methyl-4-(1-propan-2-yloxyethenyl)-4-prop-2-enylpiperidine
SMILESC=CCC1(C(=C)OC(C)C)CCN(C)CC1
InChIInChI=1S/C14H25NO/c1-6-7-14(13(4)16-12(2)3)8-10-15(5)11-9-14/h6,12H,1,4,7-11H2,2-3,5H3
InChIKeyORPWDEMQOAWRNF-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.21
Rot. Bonds5

About 1-methyl-4-(1-propan-2-yloxyethenyl)-4-prop-2-enylpiperidine

1-methyl-4-(1-propan-2-yloxyethenyl)-4-prop-2-enylpiperidine (PubChem CID 163236418) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-methyl-4-(1-propan-2-yloxyethenyl)-4-prop-2-enylpiperidine.

Molecular Properties

Compound Name1-methyl-4-(1-propan-2-yloxyethenyl)-4-prop-2-enylpiperidine
PubChem CID163236418
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-methyl-4-(1-propan-2-yloxyethenyl)-4-prop-2-enylpiperidine
SMILESC=CCC1(C(=C)OC(C)C)CCN(C)CC1
InChIInChI=1S/C14H25NO/c1-6-7-14(13(4)16-12(2)3)8-10-15(5)11-9-14/h6,12H,1,4,7-11H2,2-3,5H3
InChIKeyORPWDEMQOAWRNF-UHFFFAOYSA-N
XLogP3.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-Ethenyl-4-fluoro-1-[[1-(prop-1-en-2-yloxymethyl)cyclopropyl]methyl]piperidine
CID 172350532
4-(1-Methoxyethenyl)-1-methylpiperidine
CID 58967538
Lanthanum;4-(methoxymethyl)-4-prop-2-enylpiperidin-1-ide
CID 59312076
1-(Cyclopropylmethyl)-4-(1-ethoxyethenyl)piperidine
CID 129209109
4-(1-Methoxyethenyl)-1-methylpiperidine;propane
CID 143916334
Ethane;1-methyl-4-(1-propan-2-yloxyethenyl)-4-prop-2-enylpiperidine
CID 163236417
1,4-Dimethyl-4-[1-(2-propoxyethoxy)ethenyl]piperidine
CID 168985547

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-propan-2-yloxyethenyl)-4-prop-2-enylpiperidine?
The IUPAC name of 1-methyl-4-(1-propan-2-yloxyethenyl)-4-prop-2-enylpiperidine (CID 163236418) is 1-methyl-4-(1-propan-2-yloxyethenyl)-4-prop-2-enylpiperidine.
What is the SMILES notation for 1-methyl-4-(1-propan-2-yloxyethenyl)-4-prop-2-enylpiperidine?
The canonical SMILES for 1-methyl-4-(1-propan-2-yloxyethenyl)-4-prop-2-enylpiperidine is C=CCC1(C(=C)OC(C)C)CCN(C)CC1.
What is the InChIKey of 1-methyl-4-(1-propan-2-yloxyethenyl)-4-prop-2-enylpiperidine?
The InChIKey is ORPWDEMQOAWRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-6-7-14(13(4)16-12(2)3)8-10-15(5)11-9-14/h6,12H,1,4,7-11H2,2-3,5H3.
What are the key properties of 1-methyl-4-(1-propan-2-yloxyethenyl)-4-prop-2-enylpiperidine?
1-methyl-4-(1-propan-2-yloxyethenyl)-4-prop-2-enylpiperidine has a molecular weight of 223.36 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-propan-2-yloxyethenyl)-4-prop-2-enylpiperidine is sourced from PubChem (CID 163236418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).