4-[(6-methylcyclohexa-1,5-dien-1-yl)methoxy]piperidine

C13H21NO — CID 142283411

IUPAC4-[(6-methylcyclohexa-1,5-dien-1-yl)methoxy]piperidine
SMILESCC1=CCCC=C1COC1CCNCC1
InChIInChI=1S/C13H21NO/c1-11-4-2-3-5-12(11)10-15-13-6-8-14-9-7-13/h4-5,13-14H,2-3,6-10H2,1H3
InChIKeyRJBGSNFVWXVYRY-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.42
Rot. Bonds3

About 4-[(6-methylcyclohexa-1,5-dien-1-yl)methoxy]piperidine

4-[(6-methylcyclohexa-1,5-dien-1-yl)methoxy]piperidine (PubChem CID 142283411) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-[(6-methylcyclohexa-1,5-dien-1-yl)methoxy]piperidine.

Molecular Properties

Compound Name4-[(6-methylcyclohexa-1,5-dien-1-yl)methoxy]piperidine
PubChem CID142283411
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-[(6-methylcyclohexa-1,5-dien-1-yl)methoxy]piperidine
SMILESCC1=CCCC=C1COC1CCNCC1
InChIInChI=1S/C13H21NO/c1-11-4-2-3-5-12(11)10-15-13-6-8-14-9-7-13/h4-5,13-14H,2-3,6-10H2,1H3
InChIKeyRJBGSNFVWXVYRY-UHFFFAOYSA-N
XLogP2.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-methylcyclohexa-1,5-dien-1-yl)methoxy]piperidine?
The IUPAC name of 4-[(6-methylcyclohexa-1,5-dien-1-yl)methoxy]piperidine (CID 142283411) is 4-[(6-methylcyclohexa-1,5-dien-1-yl)methoxy]piperidine.
What is the SMILES notation for 4-[(6-methylcyclohexa-1,5-dien-1-yl)methoxy]piperidine?
The canonical SMILES for 4-[(6-methylcyclohexa-1,5-dien-1-yl)methoxy]piperidine is CC1=CCCC=C1COC1CCNCC1.
What is the InChIKey of 4-[(6-methylcyclohexa-1,5-dien-1-yl)methoxy]piperidine?
The InChIKey is RJBGSNFVWXVYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-11-4-2-3-5-12(11)10-15-13-6-8-14-9-7-13/h4-5,13-14H,2-3,6-10H2,1H3.
What are the key properties of 4-[(6-methylcyclohexa-1,5-dien-1-yl)methoxy]piperidine?
4-[(6-methylcyclohexa-1,5-dien-1-yl)methoxy]piperidine has a molecular weight of 207.32 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methylcyclohexa-1,5-dien-1-yl)methoxy]piperidine is sourced from PubChem (CID 142283411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).