4-(2-ethyl-4-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-methylpiperidine

C16H23NO — CID 136631024

IUPAC4-(2-ethyl-4-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-methylpiperidine
SMILESC=c1cc(OC)cc(CC)c1=C1CCN(C)CC1
InChIInChI=1S/C16H23NO/c1-5-13-11-15(18-4)10-12(2)16(13)14-6-8-17(3)9-7-14/h10-11H,2,5-9H2,1,3-4H3
InChIKeyFNHDOZADYONDIJ-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.54
Rot. Bonds2

About 4-(2-ethyl-4-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-methylpiperidine

4-(2-ethyl-4-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-methylpiperidine (PubChem CID 136631024) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-(2-ethyl-4-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-methylpiperidine.

Molecular Properties

Compound Name4-(2-ethyl-4-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-methylpiperidine
PubChem CID136631024
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name4-(2-ethyl-4-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-methylpiperidine
SMILESC=c1cc(OC)cc(CC)c1=C1CCN(C)CC1
InChIInChI=1S/C16H23NO/c1-5-13-11-15(18-4)10-12(2)16(13)14-6-8-17(3)9-7-14/h10-11H,2,5-9H2,1,3-4H3
InChIKeyFNHDOZADYONDIJ-UHFFFAOYSA-N
XLogP1.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-Fluoro-6-methoxycyclohexa-1,5-dien-1-yl)methyl]piperidine
CID 123168712
(3Z)-12-methyl-2-oxa-12-azatricyclo[13.4.0.04,9]nonadeca-1(15),3,5,7,18-pentaene;hydrochloride
CID 20509355
1-[(4-Methoxy-7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)methyl]piperidine
CID 21283386
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
1-(3-Methoxycyclohexa-1,3-dien-1-yl)-2-methylpiperidine
CID 89569259
1-[2-[(2E,4Z)-4-ethylhexa-2,4-dien-3-yl]oxyethyl]piperidine
CID 89584110
1-[1-(6-Methoxycyclohexa-1,5-dien-1-yl)ethyl]piperidine
CID 89688746
4-(2-Ethyl-4-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-methanidylpiperidin-5-ide
CID 91077745
1-[1-[3-[5-(Cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]prop-2-enoxy]propyl]piperidine
CID 91155560
2-(2-Methoxyprop-2-enylidene)-1-methyl-3-methylidenepiperidine
CID 123572370
1-[2-(4-Ethylhexa-2,4-dien-3-yloxy)ethyl]piperidine
CID 123636866

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-4-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-methylpiperidine?
The IUPAC name of 4-(2-ethyl-4-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-methylpiperidine (CID 136631024) is 4-(2-ethyl-4-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-methylpiperidine.
What is the SMILES notation for 4-(2-ethyl-4-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-methylpiperidine?
The canonical SMILES for 4-(2-ethyl-4-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-methylpiperidine is C=c1cc(OC)cc(CC)c1=C1CCN(C)CC1.
What is the InChIKey of 4-(2-ethyl-4-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-methylpiperidine?
The InChIKey is FNHDOZADYONDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-5-13-11-15(18-4)10-12(2)16(13)14-6-8-17(3)9-7-14/h10-11H,2,5-9H2,1,3-4H3.
What are the key properties of 4-(2-ethyl-4-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-methylpiperidine?
4-(2-ethyl-4-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-methylpiperidine has a molecular weight of 245.37 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-4-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-methylpiperidine is sourced from PubChem (CID 136631024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).