1-(2-methylpropyl)-3-prop-2-enoxypiperidine

C12H23NO — CID 174903815

IUPAC1-(2-methylpropyl)-3-prop-2-enoxypiperidine
SMILESC=CCOC1CCCN(CC(C)C)C1
InChIInChI=1S/C12H23NO/c1-4-8-14-12-6-5-7-13(10-12)9-11(2)3/h4,11-12H,1,5-10H2,2-3H3
InChIKeyITGNFWCFJPSQCB-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.31
Rot. Bonds5

About 1-(2-methylpropyl)-3-prop-2-enoxypiperidine

1-(2-methylpropyl)-3-prop-2-enoxypiperidine (PubChem CID 174903815) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-prop-2-enoxypiperidine.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-prop-2-enoxypiperidine
PubChem CID174903815
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(2-methylpropyl)-3-prop-2-enoxypiperidine
SMILESC=CCOC1CCCN(CC(C)C)C1
InChIInChI=1S/C12H23NO/c1-4-8-14-12-6-5-7-13(10-12)9-11(2)3/h4,11-12H,1,5-10H2,2-3H3
InChIKeyITGNFWCFJPSQCB-UHFFFAOYSA-N
XLogP2.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-prop-2-enoxypiperidine?
The IUPAC name of 1-(2-methylpropyl)-3-prop-2-enoxypiperidine (CID 174903815) is 1-(2-methylpropyl)-3-prop-2-enoxypiperidine.
What is the SMILES notation for 1-(2-methylpropyl)-3-prop-2-enoxypiperidine?
The canonical SMILES for 1-(2-methylpropyl)-3-prop-2-enoxypiperidine is C=CCOC1CCCN(CC(C)C)C1.
What is the InChIKey of 1-(2-methylpropyl)-3-prop-2-enoxypiperidine?
The InChIKey is ITGNFWCFJPSQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-8-14-12-6-5-7-13(10-12)9-11(2)3/h4,11-12H,1,5-10H2,2-3H3.
What are the key properties of 1-(2-methylpropyl)-3-prop-2-enoxypiperidine?
1-(2-methylpropyl)-3-prop-2-enoxypiperidine has a molecular weight of 197.32 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-prop-2-enoxypiperidine is sourced from PubChem (CID 174903815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).