4-[3-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]oxypiperidine

C15H25NO — CID 143926315

IUPAC4-[3-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]oxypiperidine
SMILESCC(C)CC1=CCCC(OC2CCNCC2)=C1
InChIInChI=1S/C15H25NO/c1-12(2)10-13-4-3-5-15(11-13)17-14-6-8-16-9-7-14/h4,11-12,14,16H,3,5-10H2,1-2H3
InChIKeyPWCKYBYNTPQXOK-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.41
Rot. Bonds4

About 4-[3-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]oxypiperidine

4-[3-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]oxypiperidine (PubChem CID 143926315) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-[3-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]oxypiperidine.

Molecular Properties

Compound Name4-[3-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]oxypiperidine
PubChem CID143926315
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-[3-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]oxypiperidine
SMILESCC(C)CC1=CCCC(OC2CCNCC2)=C1
InChIInChI=1S/C15H25NO/c1-12(2)10-13-4-3-5-15(11-13)17-14-6-8-16-9-7-14/h4,11-12,14,16H,3,5-10H2,1-2H3
InChIKeyPWCKYBYNTPQXOK-UHFFFAOYSA-N
XLogP3.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]oxypiperidine?
The IUPAC name of 4-[3-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]oxypiperidine (CID 143926315) is 4-[3-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]oxypiperidine.
What is the SMILES notation for 4-[3-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]oxypiperidine?
The canonical SMILES for 4-[3-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]oxypiperidine is CC(C)CC1=CCCC(OC2CCNCC2)=C1.
What is the InChIKey of 4-[3-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]oxypiperidine?
The InChIKey is PWCKYBYNTPQXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-12(2)10-13-4-3-5-15(11-13)17-14-6-8-16-9-7-14/h4,11-12,14,16H,3,5-10H2,1-2H3.
What are the key properties of 4-[3-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]oxypiperidine?
4-[3-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]oxypiperidine has a molecular weight of 235.37 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]oxypiperidine is sourced from PubChem (CID 143926315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).