2-[cyclohexa-1,5-dien-1-yl(ethoxy)methyl]piperidine

C14H23NO — CID 144549752

IUPAC2-[cyclohexa-1,5-dien-1-yl(ethoxy)methyl]piperidine
SMILESCCOC(C1=CCCC=C1)C1CCCCN1
InChIInChI=1S/C14H23NO/c1-2-16-14(12-8-4-3-5-9-12)13-10-6-7-11-15-13/h4,8-9,13-15H,2-3,5-7,10-11H2,1H3
InChIKeyKSKMSJHAFAVXHO-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.81
Rot. Bonds4

About 2-[cyclohexa-1,5-dien-1-yl(ethoxy)methyl]piperidine

2-[cyclohexa-1,5-dien-1-yl(ethoxy)methyl]piperidine (PubChem CID 144549752) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-[cyclohexa-1,5-dien-1-yl(ethoxy)methyl]piperidine.

Molecular Properties

Compound Name2-[cyclohexa-1,5-dien-1-yl(ethoxy)methyl]piperidine
PubChem CID144549752
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-[cyclohexa-1,5-dien-1-yl(ethoxy)methyl]piperidine
SMILESCCOC(C1=CCCC=C1)C1CCCCN1
InChIInChI=1S/C14H23NO/c1-2-16-14(12-8-4-3-5-9-12)13-10-6-7-11-15-13/h4,8-9,13-15H,2-3,5-7,10-11H2,1H3
InChIKeyKSKMSJHAFAVXHO-UHFFFAOYSA-N
XLogP2.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexa-1,5-dien-1-yl(ethoxy)methyl]piperidine?
The IUPAC name of 2-[cyclohexa-1,5-dien-1-yl(ethoxy)methyl]piperidine (CID 144549752) is 2-[cyclohexa-1,5-dien-1-yl(ethoxy)methyl]piperidine.
What is the SMILES notation for 2-[cyclohexa-1,5-dien-1-yl(ethoxy)methyl]piperidine?
The canonical SMILES for 2-[cyclohexa-1,5-dien-1-yl(ethoxy)methyl]piperidine is CCOC(C1=CCCC=C1)C1CCCCN1.
What is the InChIKey of 2-[cyclohexa-1,5-dien-1-yl(ethoxy)methyl]piperidine?
The InChIKey is KSKMSJHAFAVXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-2-16-14(12-8-4-3-5-9-12)13-10-6-7-11-15-13/h4,8-9,13-15H,2-3,5-7,10-11H2,1H3.
What are the key properties of 2-[cyclohexa-1,5-dien-1-yl(ethoxy)methyl]piperidine?
2-[cyclohexa-1,5-dien-1-yl(ethoxy)methyl]piperidine has a molecular weight of 221.34 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexa-1,5-dien-1-yl(ethoxy)methyl]piperidine is sourced from PubChem (CID 144549752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).