4,4-diethyl-1-(4-methoxycyclohex-2-en-1-yl)piperidine

C16H29NO — CID 134225136

IUPAC4,4-diethyl-1-(4-methoxycyclohex-2-en-1-yl)piperidine
SMILESCCC1(CC)CCN(C2C=CC(OC)CC2)CC1
InChIInChI=1S/C16H29NO/c1-4-16(5-2)10-12-17(13-11-16)14-6-8-15(18-3)9-7-14/h6,8,14-15H,4-5,7,9-13H2,1-3H3
InChIKeySIQJRMUAHLUTOH-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.62
Rot. Bonds4

About 4,4-diethyl-1-(4-methoxycyclohex-2-en-1-yl)piperidine

4,4-diethyl-1-(4-methoxycyclohex-2-en-1-yl)piperidine (PubChem CID 134225136) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 4,4-diethyl-1-(4-methoxycyclohex-2-en-1-yl)piperidine.

Molecular Properties

Compound Name4,4-diethyl-1-(4-methoxycyclohex-2-en-1-yl)piperidine
PubChem CID134225136
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name4,4-diethyl-1-(4-methoxycyclohex-2-en-1-yl)piperidine
SMILESCCC1(CC)CCN(C2C=CC(OC)CC2)CC1
InChIInChI=1S/C16H29NO/c1-4-16(5-2)10-12-17(13-11-16)14-6-8-15(18-3)9-7-14/h6,8,14-15H,4-5,7,9-13H2,1-3H3
InChIKeySIQJRMUAHLUTOH-UHFFFAOYSA-N
XLogP3.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.62
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 4,4-diethyl-1-(4-methoxycyclohex-2-en-1-yl)piperidine?
The IUPAC name of 4,4-diethyl-1-(4-methoxycyclohex-2-en-1-yl)piperidine (CID 134225136) is 4,4-diethyl-1-(4-methoxycyclohex-2-en-1-yl)piperidine.
What is the SMILES notation for 4,4-diethyl-1-(4-methoxycyclohex-2-en-1-yl)piperidine?
The canonical SMILES for 4,4-diethyl-1-(4-methoxycyclohex-2-en-1-yl)piperidine is CCC1(CC)CCN(C2C=CC(OC)CC2)CC1.
What is the InChIKey of 4,4-diethyl-1-(4-methoxycyclohex-2-en-1-yl)piperidine?
The InChIKey is SIQJRMUAHLUTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-4-16(5-2)10-12-17(13-11-16)14-6-8-15(18-3)9-7-14/h6,8,14-15H,4-5,7,9-13H2,1-3H3.
What are the key properties of 4,4-diethyl-1-(4-methoxycyclohex-2-en-1-yl)piperidine?
4,4-diethyl-1-(4-methoxycyclohex-2-en-1-yl)piperidine has a molecular weight of 251.41 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethyl-1-(4-methoxycyclohex-2-en-1-yl)piperidine is sourced from PubChem (CID 134225136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).