1-[(2-methoxycyclohexa-1,3-dien-1-yl)methyl]piperidine

C13H21NO — CID 149020798

IUPAC1-[(2-methoxycyclohexa-1,3-dien-1-yl)methyl]piperidine
SMILESCOC1=C(CN2CCCCC2)CCC=C1
InChIInChI=1S/C13H21NO/c1-15-13-8-4-3-7-12(13)11-14-9-5-2-6-10-14/h4,8H,2-3,5-7,9-11H2,1H3
InChIKeyQDKQSKCLNLKKTQ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.72
Rot. Bonds3

About 1-[(2-methoxycyclohexa-1,3-dien-1-yl)methyl]piperidine

1-[(2-methoxycyclohexa-1,3-dien-1-yl)methyl]piperidine (PubChem CID 149020798) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-[(2-methoxycyclohexa-1,3-dien-1-yl)methyl]piperidine.

Molecular Properties

Compound Name1-[(2-methoxycyclohexa-1,3-dien-1-yl)methyl]piperidine
PubChem CID149020798
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-[(2-methoxycyclohexa-1,3-dien-1-yl)methyl]piperidine
SMILESCOC1=C(CN2CCCCC2)CCC=C1
InChIInChI=1S/C13H21NO/c1-15-13-8-4-3-7-12(13)11-14-9-5-2-6-10-14/h4,8H,2-3,5-7,9-11H2,1H3
InChIKeyQDKQSKCLNLKKTQ-UHFFFAOYSA-N
XLogP2.72
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 130246078
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CID 123168712
1-[(2E)-2-(1-fluoroethenyl)-3-methoxypenta-2,4-dienyl]piperidine
CID 144301948
(3R)-1-[(2-fluoro-6-methoxycyclohexa-1,5-dien-1-yl)methyl]-3-methylpiperidine
CID 144302531
1-methyl-4-[4-(trifluoromethoxy)benzene-5-id-1-yl]-3,6-dihydro-2H-pyridine;palladium
CID 176011670
1-[(3E,5Z)-3-fluoro-7-methoxy-2-methylocta-3,5,7-trienyl]piperidine
CID 144302450
1-[(4-Methoxy-7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)methyl]piperidine
CID 21283386
1-(2-Cyclohexa-1,5-dien-1-yloxyethyl)piperidine
CID 21959220
1-[(5-Methoxybenzocyclobuten-1-yl)methyl]piperidin-4-one
CID 23044217
12-Methyl-2-oxa-12-azatricyclo[13.4.0.04,9]nonadeca-1(15),3,5,7,18-pentaene
CID 56636282
1-[1-[3-(5-Cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)prop-2-enoxy]propyl]piperidine
CID 69046520
7-methoxy-4-methyl-2,3,4a,5-tetrahydro-1H-benzo[f]quinoline
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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxycyclohexa-1,3-dien-1-yl)methyl]piperidine?
The IUPAC name of 1-[(2-methoxycyclohexa-1,3-dien-1-yl)methyl]piperidine (CID 149020798) is 1-[(2-methoxycyclohexa-1,3-dien-1-yl)methyl]piperidine.
What is the SMILES notation for 1-[(2-methoxycyclohexa-1,3-dien-1-yl)methyl]piperidine?
The canonical SMILES for 1-[(2-methoxycyclohexa-1,3-dien-1-yl)methyl]piperidine is COC1=C(CN2CCCCC2)CCC=C1.
What is the InChIKey of 1-[(2-methoxycyclohexa-1,3-dien-1-yl)methyl]piperidine?
The InChIKey is QDKQSKCLNLKKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-15-13-8-4-3-7-12(13)11-14-9-5-2-6-10-14/h4,8H,2-3,5-7,9-11H2,1H3.
What are the key properties of 1-[(2-methoxycyclohexa-1,3-dien-1-yl)methyl]piperidine?
1-[(2-methoxycyclohexa-1,3-dien-1-yl)methyl]piperidine has a molecular weight of 207.32 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxycyclohexa-1,3-dien-1-yl)methyl]piperidine is sourced from PubChem (CID 149020798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).