4-[3-(4-ethoxycyclohex-2-en-1-yl)propyl]-1-methylpiperidine

C17H31NO — CID 170569337

IUPAC4-[3-(4-ethoxycyclohex-2-en-1-yl)propyl]-1-methylpiperidine
SMILESCCOC1C=CC(CCCC2CCN(C)CC2)CC1
InChIInChI=1S/C17H31NO/c1-3-19-17-9-7-15(8-10-17)5-4-6-16-11-13-18(2)14-12-16/h7,9,15-17H,3-6,8,10-14H2,1-2H3
InChIKeyAUONKLWWJPNDOX-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.87
Rot. Bonds6

About 4-[3-(4-ethoxycyclohex-2-en-1-yl)propyl]-1-methylpiperidine

4-[3-(4-ethoxycyclohex-2-en-1-yl)propyl]-1-methylpiperidine (PubChem CID 170569337) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 4-[3-(4-ethoxycyclohex-2-en-1-yl)propyl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[3-(4-ethoxycyclohex-2-en-1-yl)propyl]-1-methylpiperidine
PubChem CID170569337
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name4-[3-(4-ethoxycyclohex-2-en-1-yl)propyl]-1-methylpiperidine
SMILESCCOC1C=CC(CCCC2CCN(C)CC2)CC1
InChIInChI=1S/C17H31NO/c1-3-19-17-9-7-15(8-10-17)5-4-6-16-11-13-18(2)14-12-16/h7,9,15-17H,3-6,8,10-14H2,1-2H3
InChIKeyAUONKLWWJPNDOX-UHFFFAOYSA-N
XLogP3.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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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Related Compounds

6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-5-(1-methoxybutyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 118448147
4-[4-(1-Ethoxyethyl)cyclohexa-1,3-dien-1-yl]-1-(3-fluoropropyl)piperidine
CID 134376383
(4E,8E)-11-(4,6-dimethyl-7-oxabicyclo[4.1.0]hept-4-en-5-yl)-N-isohexyl-N,4,9-trimethyl-undeca-4,8-dien-1-amine
CID 6482029
4-(Cyclohex-2-en-1-yloxymethyl)-1-methylpiperidine
CID 68393346
4-[(2S)-3-[(6R)-4-[5-(1,5-dimethylpiperidin-2-yl)pent-1-en-2-yl]-6-methoxycyclohexen-1-yl]-2-methylpropyl]cyclohex-2-ene-1-carbonitrile
CID 89128662
10-ethyl-3-methyl-8-propan-2-yloxy-9-[(Z)-prop-1-enyl]-3-azaspiro[5.5]undec-9-ene
CID 130371264
4-[1-[(Z)-23-butyltriacont-24-en-11-yl]oxyethenyl]-1-methylpiperidine
CID 132065181
N-(cyclohexylmethyl)-N-[(4-methoxycyclohex-2-en-1-yl)methyl]nonan-1-amine
CID 138519255
1-[2-(4-Tert-butylcyclohex-2-en-1-yl)oxy-2-methylpropyl]piperidine
CID 141773417
3,5-Dimethyl-1-[1-[4-(2,4,4-trimethylpentan-2-yl)cyclohex-2-en-1-yl]oxypropan-2-yl]piperidine
CID 141773501
N-[2-(4-butan-2-ylcyclohex-2-en-1-yl)oxyethyl]-N-ethylcyclohexanamine
CID 141773559
N-[2-(4-methoxycyclohex-2-en-1-yl)ethyl]-N-methylpropan-1-amine
CID 141784759

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-ethoxycyclohex-2-en-1-yl)propyl]-1-methylpiperidine?
The IUPAC name of 4-[3-(4-ethoxycyclohex-2-en-1-yl)propyl]-1-methylpiperidine (CID 170569337) is 4-[3-(4-ethoxycyclohex-2-en-1-yl)propyl]-1-methylpiperidine.
What is the SMILES notation for 4-[3-(4-ethoxycyclohex-2-en-1-yl)propyl]-1-methylpiperidine?
The canonical SMILES for 4-[3-(4-ethoxycyclohex-2-en-1-yl)propyl]-1-methylpiperidine is CCOC1C=CC(CCCC2CCN(C)CC2)CC1.
What is the InChIKey of 4-[3-(4-ethoxycyclohex-2-en-1-yl)propyl]-1-methylpiperidine?
The InChIKey is AUONKLWWJPNDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-3-19-17-9-7-15(8-10-17)5-4-6-16-11-13-18(2)14-12-16/h7,9,15-17H,3-6,8,10-14H2,1-2H3.
What are the key properties of 4-[3-(4-ethoxycyclohex-2-en-1-yl)propyl]-1-methylpiperidine?
4-[3-(4-ethoxycyclohex-2-en-1-yl)propyl]-1-methylpiperidine has a molecular weight of 265.44 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-ethoxycyclohex-2-en-1-yl)propyl]-1-methylpiperidine is sourced from PubChem (CID 170569337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).