2-(2-cyclohexa-1,5-dien-1-ylethyl)piperidine

C13H21N — CID 142470149

IUPAC2-(2-cyclohexa-1,5-dien-1-ylethyl)piperidine
SMILESC1=CC(CCC2CCCCN2)=CCC1
InChIInChI=1S/C13H21N/c1-2-6-12(7-3-1)9-10-13-8-4-5-11-14-13/h2,6-7,13-14H,1,3-5,8-11H2
InChIKeyWABZKBHADMQPOZ-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.19
Rot. Bonds3

About 2-(2-cyclohexa-1,5-dien-1-ylethyl)piperidine

2-(2-cyclohexa-1,5-dien-1-ylethyl)piperidine (PubChem CID 142470149) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 2-(2-cyclohexa-1,5-dien-1-ylethyl)piperidine.

Molecular Properties

Compound Name2-(2-cyclohexa-1,5-dien-1-ylethyl)piperidine
PubChem CID142470149
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name2-(2-cyclohexa-1,5-dien-1-ylethyl)piperidine
SMILESC1=CC(CCC2CCCCN2)=CCC1
InChIInChI=1S/C13H21N/c1-2-6-12(7-3-1)9-10-13-8-4-5-11-14-13/h2,6-7,13-14H,1,3-5,8-11H2
InChIKeyWABZKBHADMQPOZ-UHFFFAOYSA-N
XLogP3.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 29416072
(2R)-2-[3-[(2R)-piperidin-2-yl]propyl]piperidine
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[4-(2-piperidin-2-ylethyl)phenyl]methanol
CID 174898982
4-cyclohexa-1,5-dien-1-yl-3-[(2R)-piperidin-2-yl]butan-2-one
CID 163729799
CID 142470178
CID 142470178
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2-(2-piperidin-2-ylethyl)-1,3-benzoxazole
CID 62217382
2-[2-(3-methylphenyl)ethyl]azepane
CID 62544067
N-(piperidin-2-ylmethyl)cyclooctanamine
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2-[2-(2,5-dihydropyrrol-1-yl)ethyl]piperidine
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CID 104703716
2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperidine
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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexa-1,5-dien-1-ylethyl)piperidine?
The IUPAC name of 2-(2-cyclohexa-1,5-dien-1-ylethyl)piperidine (CID 142470149) is 2-(2-cyclohexa-1,5-dien-1-ylethyl)piperidine.
What is the SMILES notation for 2-(2-cyclohexa-1,5-dien-1-ylethyl)piperidine?
The canonical SMILES for 2-(2-cyclohexa-1,5-dien-1-ylethyl)piperidine is C1=CC(CCC2CCCCN2)=CCC1.
What is the InChIKey of 2-(2-cyclohexa-1,5-dien-1-ylethyl)piperidine?
The InChIKey is WABZKBHADMQPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-2-6-12(7-3-1)9-10-13-8-4-5-11-14-13/h2,6-7,13-14H,1,3-5,8-11H2.
What are the key properties of 2-(2-cyclohexa-1,5-dien-1-ylethyl)piperidine?
2-(2-cyclohexa-1,5-dien-1-ylethyl)piperidine has a molecular weight of 191.32 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexa-1,5-dien-1-ylethyl)piperidine is sourced from PubChem (CID 142470149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).