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

C18H37NO — CID 163236417

IUPACethane;1-methyl-4-(1-propan-2-yloxyethenyl)-4-prop-2-enylpiperidine
SMILESC=CCC1(C(=C)OC(C)C)CCN(C)CC1.CC.CC
InChIInChI=1S/C14H25NO.2C2H6/c1-6-7-14(13(4)16-12(2)3)8-10-15(5)11-9-14;2*1-2/h6,12H,1,4,7-11H2,2-3,5H3;2*1-2H3
InChIKeyZTZPDWWJFFHKGS-UHFFFAOYSA-N
MW283.50 g/mol
LogP5.27
Rot. Bonds5

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

ethane;1-methyl-4-(1-propan-2-yloxyethenyl)-4-prop-2-enylpiperidine (PubChem CID 163236417) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is ethane;1-methyl-4-(1-propan-2-yloxyethenyl)-4-prop-2-enylpiperidine.

Molecular Properties

Compound Nameethane;1-methyl-4-(1-propan-2-yloxyethenyl)-4-prop-2-enylpiperidine
PubChem CID163236417
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Nameethane;1-methyl-4-(1-propan-2-yloxyethenyl)-4-prop-2-enylpiperidine
SMILESC=CCC1(C(=C)OC(C)C)CCN(C)CC1.CC.CC
InChIInChI=1S/C14H25NO.2C2H6/c1-6-7-14(13(4)16-12(2)3)8-10-15(5)11-9-14;2*1-2/h6,12H,1,4,7-11H2,2-3,5H3;2*1-2H3
InChIKeyZTZPDWWJFFHKGS-UHFFFAOYSA-N
XLogP5.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.50
LogP ≤ 55.27
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

Lanthanum;4-(methoxymethyl)-4-prop-2-enylpiperidin-1-ide
CID 59312076
Buta-1,3-diene;ethane;3,4,8-trimethyl-2-oxa-8-azaspiro[4.5]dec-3-ene
CID 141882875
Ethane;3-ethyl-4,8-dimethyl-2-oxa-8-azaspiro[4.5]dec-3-ene;prop-1-ene
CID 141899778
1-Methyl-4-(1-propan-2-yloxyethenyl)-4-prop-2-enylpiperidine
CID 163236418

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-(1-propan-2-yloxyethenyl)-4-prop-2-enylpiperidine?
The IUPAC name of ethane;1-methyl-4-(1-propan-2-yloxyethenyl)-4-prop-2-enylpiperidine (CID 163236417) is ethane;1-methyl-4-(1-propan-2-yloxyethenyl)-4-prop-2-enylpiperidine.
What is the SMILES notation for ethane;1-methyl-4-(1-propan-2-yloxyethenyl)-4-prop-2-enylpiperidine?
The canonical SMILES for ethane;1-methyl-4-(1-propan-2-yloxyethenyl)-4-prop-2-enylpiperidine is C=CCC1(C(=C)OC(C)C)CCN(C)CC1.CC.CC.
What is the InChIKey of ethane;1-methyl-4-(1-propan-2-yloxyethenyl)-4-prop-2-enylpiperidine?
The InChIKey is ZTZPDWWJFFHKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO.2C2H6/c1-6-7-14(13(4)16-12(2)3)8-10-15(5)11-9-14;2*1-2/h6,12H,1,4,7-11H2,2-3,5H3;2*1-2H3.
What are the key properties of ethane;1-methyl-4-(1-propan-2-yloxyethenyl)-4-prop-2-enylpiperidine?
ethane;1-methyl-4-(1-propan-2-yloxyethenyl)-4-prop-2-enylpiperidine has a molecular weight of 283.50 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-(1-propan-2-yloxyethenyl)-4-prop-2-enylpiperidine is sourced from PubChem (CID 163236417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).