4-[3-(4-methoxycyclohexa-1,3-dien-1-yl)oxypropyl]piperidine

C15H25NO2 — CID 139632101

IUPAC4-[3-(4-methoxycyclohexa-1,3-dien-1-yl)oxypropyl]piperidine
SMILESCOC1=CC=C(OCCCC2CCNCC2)CC1
InChIInChI=1S/C15H25NO2/c1-17-14-4-6-15(7-5-14)18-12-2-3-13-8-10-16-11-9-13/h4,6,13,16H,2-3,5,7-12H2,1H3
InChIKeyUWPUAFVSLKAHOU-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.99
Rot. Bonds6

About 4-[3-(4-methoxycyclohexa-1,3-dien-1-yl)oxypropyl]piperidine

4-[3-(4-methoxycyclohexa-1,3-dien-1-yl)oxypropyl]piperidine (PubChem CID 139632101) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-[3-(4-methoxycyclohexa-1,3-dien-1-yl)oxypropyl]piperidine.

Molecular Properties

Compound Name4-[3-(4-methoxycyclohexa-1,3-dien-1-yl)oxypropyl]piperidine
PubChem CID139632101
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name4-[3-(4-methoxycyclohexa-1,3-dien-1-yl)oxypropyl]piperidine
SMILESCOC1=CC=C(OCCCC2CCNCC2)CC1
InChIInChI=1S/C15H25NO2/c1-17-14-4-6-15(7-5-14)18-12-2-3-13-8-10-16-11-9-13/h4,6,13,16H,2-3,5,7-12H2,1H3
InChIKeyUWPUAFVSLKAHOU-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(3,4-dihydro-2H-pyran-6-yl)-1-fluoroethyl]piperidine
CID 102648248
3-[3,4-dihydro-2H-pyran-6-yl(fluoro)methyl]piperidine
CID 102648250
4-[5-(Cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]piperidine
CID 56998454
4-[3-[(2E,4Z)-hexa-2,4-dien-2-yl]oxypropyl]piperidine
CID 59943682
4-[(4R)-4-methylcyclohexen-1-yl]oxypiperidine
CID 68082956
4-[(4R)-4-propan-2-ylcyclohexen-1-yl]oxypiperidine
CID 68083152
4-(3-Hexa-2,4-dien-2-yloxypropyl)piperidine
CID 72602614
4-[[(1E,3Z)-1-(2-methylcyclobutyl)penta-1,3-dienoxy]methyl]piperidine
CID 89067072
4-(1-Ethoxyprop-1-enyl)piperidine
CID 90986736
3-[5-(cyclohexylmethoxy)cyclohexa-2,4-dien-1-yl]-N-methylpropan-1-amine
CID 130373192
3-[5-(4-Methoxybutoxy)cyclohexa-2,4-dien-1-yl]propan-1-amine
CID 130373348
2-(4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)-N-methylethanamine
CID 142187162

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxycyclohexa-1,3-dien-1-yl)oxypropyl]piperidine?
The IUPAC name of 4-[3-(4-methoxycyclohexa-1,3-dien-1-yl)oxypropyl]piperidine (CID 139632101) is 4-[3-(4-methoxycyclohexa-1,3-dien-1-yl)oxypropyl]piperidine.
What is the SMILES notation for 4-[3-(4-methoxycyclohexa-1,3-dien-1-yl)oxypropyl]piperidine?
The canonical SMILES for 4-[3-(4-methoxycyclohexa-1,3-dien-1-yl)oxypropyl]piperidine is COC1=CC=C(OCCCC2CCNCC2)CC1.
What is the InChIKey of 4-[3-(4-methoxycyclohexa-1,3-dien-1-yl)oxypropyl]piperidine?
The InChIKey is UWPUAFVSLKAHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-17-14-4-6-15(7-5-14)18-12-2-3-13-8-10-16-11-9-13/h4,6,13,16H,2-3,5,7-12H2,1H3.
What are the key properties of 4-[3-(4-methoxycyclohexa-1,3-dien-1-yl)oxypropyl]piperidine?
4-[3-(4-methoxycyclohexa-1,3-dien-1-yl)oxypropyl]piperidine has a molecular weight of 251.37 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxycyclohexa-1,3-dien-1-yl)oxypropyl]piperidine is sourced from PubChem (CID 139632101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).