4-cyclohexa-1,5-dien-1-yloxy-1-methylpiperidine

C12H19NO — CID 142327140

IUPAC4-cyclohexa-1,5-dien-1-yloxy-1-methylpiperidine
SMILESCN1CCC(OC2=CCCC=C2)CC1
InChIInChI=1S/C12H19NO/c1-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11/h3,5-6,12H,2,4,7-10H2,1H3
InChIKeyNUACZZSFWSIISF-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.33
Rot. Bonds2

About 4-cyclohexa-1,5-dien-1-yloxy-1-methylpiperidine

4-cyclohexa-1,5-dien-1-yloxy-1-methylpiperidine (PubChem CID 142327140) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-cyclohexa-1,5-dien-1-yloxy-1-methylpiperidine.

Molecular Properties

Compound Name4-cyclohexa-1,5-dien-1-yloxy-1-methylpiperidine
PubChem CID142327140
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-cyclohexa-1,5-dien-1-yloxy-1-methylpiperidine
SMILESCN1CCC(OC2=CCCC=C2)CC1
InChIInChI=1S/C12H19NO/c1-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11/h3,5-6,12H,2,4,7-10H2,1H3
InChIKeyNUACZZSFWSIISF-UHFFFAOYSA-N
XLogP2.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,5-dien-1-yloxy-1-methylpiperidine?
The IUPAC name of 4-cyclohexa-1,5-dien-1-yloxy-1-methylpiperidine (CID 142327140) is 4-cyclohexa-1,5-dien-1-yloxy-1-methylpiperidine.
What is the SMILES notation for 4-cyclohexa-1,5-dien-1-yloxy-1-methylpiperidine?
The canonical SMILES for 4-cyclohexa-1,5-dien-1-yloxy-1-methylpiperidine is CN1CCC(OC2=CCCC=C2)CC1.
What is the InChIKey of 4-cyclohexa-1,5-dien-1-yloxy-1-methylpiperidine?
The InChIKey is NUACZZSFWSIISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11/h3,5-6,12H,2,4,7-10H2,1H3.
What are the key properties of 4-cyclohexa-1,5-dien-1-yloxy-1-methylpiperidine?
4-cyclohexa-1,5-dien-1-yloxy-1-methylpiperidine has a molecular weight of 193.29 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,5-dien-1-yloxy-1-methylpiperidine is sourced from PubChem (CID 142327140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).