1-(3-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-4-methylpiperidine

C14H23NO — CID 71286534

IUPAC1-(3-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-4-methylpiperidine
SMILESCOC1C=C(N2CCC(C)CC2)C=CC1C
InChIInChI=1S/C14H23NO/c1-11-6-8-15(9-7-11)13-5-4-12(2)14(10-13)16-3/h4-5,10-12,14H,6-9H2,1-3H3
InChIKeyNIMLTAVBFCTCJQ-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.82
Rot. Bonds2

About 1-(3-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-4-methylpiperidine

1-(3-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-4-methylpiperidine (PubChem CID 71286534) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(3-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-4-methylpiperidine.

Molecular Properties

Compound Name1-(3-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-4-methylpiperidine
PubChem CID71286534
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(3-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-4-methylpiperidine
SMILESCOC1C=C(N2CCC(C)CC2)C=CC1C
InChIInChI=1S/C14H23NO/c1-11-6-8-15(9-7-11)13-5-4-12(2)14(10-13)16-3/h4-5,10-12,14H,6-9H2,1-3H3
InChIKeyNIMLTAVBFCTCJQ-UHFFFAOYSA-N
XLogP2.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-4-methylpiperidine?
The IUPAC name of 1-(3-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-4-methylpiperidine (CID 71286534) is 1-(3-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-4-methylpiperidine.
What is the SMILES notation for 1-(3-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-4-methylpiperidine?
The canonical SMILES for 1-(3-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-4-methylpiperidine is COC1C=C(N2CCC(C)CC2)C=CC1C.
What is the InChIKey of 1-(3-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-4-methylpiperidine?
The InChIKey is NIMLTAVBFCTCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11-6-8-15(9-7-11)13-5-4-12(2)14(10-13)16-3/h4-5,10-12,14H,6-9H2,1-3H3.
What are the key properties of 1-(3-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-4-methylpiperidine?
1-(3-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-4-methylpiperidine has a molecular weight of 221.34 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-4-methylpiperidine is sourced from PubChem (CID 71286534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).