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

C17H31NO — CID 144923269

IUPAC4,4-diethyl-1-[(4-methoxycyclohex-2-en-1-yl)methyl]piperidine
SMILESCCC1(CC)CCN(CC2C=CC(OC)CC2)CC1
InChIInChI=1S/C17H31NO/c1-4-17(5-2)10-12-18(13-11-17)14-15-6-8-16(19-3)9-7-15/h6,8,15-16H,4-5,7,9-14H2,1-3H3
InChIKeyPRNZOYFCQMRMNQ-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.87
Rot. Bonds5

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

4,4-diethyl-1-[(4-methoxycyclohex-2-en-1-yl)methyl]piperidine (PubChem CID 144923269) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 4,4-diethyl-1-[(4-methoxycyclohex-2-en-1-yl)methyl]piperidine.

Molecular Properties

Compound Name4,4-diethyl-1-[(4-methoxycyclohex-2-en-1-yl)methyl]piperidine
PubChem CID144923269
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name4,4-diethyl-1-[(4-methoxycyclohex-2-en-1-yl)methyl]piperidine
SMILESCCC1(CC)CCN(CC2C=CC(OC)CC2)CC1
InChIInChI=1S/C17H31NO/c1-4-17(5-2)10-12-18(13-11-17)14-15-6-8-16(19-3)9-7-15/h6,8,15-16H,4-5,7,9-14H2,1-3H3
InChIKeyPRNZOYFCQMRMNQ-UHFFFAOYSA-N
XLogP3.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.87
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)methyl]piperidine?
The IUPAC name of 4,4-diethyl-1-[(4-methoxycyclohex-2-en-1-yl)methyl]piperidine (CID 144923269) is 4,4-diethyl-1-[(4-methoxycyclohex-2-en-1-yl)methyl]piperidine.
What is the SMILES notation for 4,4-diethyl-1-[(4-methoxycyclohex-2-en-1-yl)methyl]piperidine?
The canonical SMILES for 4,4-diethyl-1-[(4-methoxycyclohex-2-en-1-yl)methyl]piperidine is CCC1(CC)CCN(CC2C=CC(OC)CC2)CC1.
What is the InChIKey of 4,4-diethyl-1-[(4-methoxycyclohex-2-en-1-yl)methyl]piperidine?
The InChIKey is PRNZOYFCQMRMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-4-17(5-2)10-12-18(13-11-17)14-15-6-8-16(19-3)9-7-15/h6,8,15-16H,4-5,7,9-14H2,1-3H3.
What are the key properties of 4,4-diethyl-1-[(4-methoxycyclohex-2-en-1-yl)methyl]piperidine?
4,4-diethyl-1-[(4-methoxycyclohex-2-en-1-yl)methyl]piperidine has a molecular weight of 265.44 g/mol, XLogP of 3.87, 5 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)methyl]piperidine is sourced from PubChem (CID 144923269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).