3-(cyclohexa-1,5-dien-1-yloxymethyl)piperidine;molecular hydrogen

C12H21NO — CID 142125212

IUPAC3-(cyclohexa-1,5-dien-1-yloxymethyl)piperidine;molecular hydrogen
SMILESC1=CC(OCC2CCCNC2)=CCC1.[H][H]
InChIInChI=1S/C12H19NO.H2/c1-2-6-12(7-3-1)14-10-11-5-4-8-13-9-11;/h2,6-7,11,13H,1,3-5,8-10H2;1H
InChIKeyFANFHOBSYBJYGY-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.48
Rot. Bonds3

About 3-(cyclohexa-1,5-dien-1-yloxymethyl)piperidine;molecular hydrogen

3-(cyclohexa-1,5-dien-1-yloxymethyl)piperidine;molecular hydrogen (PubChem CID 142125212) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-(cyclohexa-1,5-dien-1-yloxymethyl)piperidine;molecular hydrogen.

Molecular Properties

Compound Name3-(cyclohexa-1,5-dien-1-yloxymethyl)piperidine;molecular hydrogen
PubChem CID142125212
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-(cyclohexa-1,5-dien-1-yloxymethyl)piperidine;molecular hydrogen
SMILESC1=CC(OCC2CCCNC2)=CCC1.[H][H]
InChIInChI=1S/C12H19NO.H2/c1-2-6-12(7-3-1)14-10-11-5-4-8-13-9-11;/h2,6-7,11,13H,1,3-5,8-10H2;1H
InChIKeyFANFHOBSYBJYGY-UHFFFAOYSA-N
XLogP2.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(5-Fluorocyclohexa-1,5-dien-1-yl)oxymethyl]piperidine
CID 143089574
4-[2-[(2E,4E)-3-fluorohepta-2,4-dien-4-yl]oxyethyl]piperidine
CID 143759830
3-[[6-Methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethyl]piperidine
CID 162598803
3-[[4-(Trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethyl]piperidine
CID 162598812
4-[2-(Cyclohexa-1,3-dien-1-ylmethoxy)-1,1-difluoroethyl]piperidine
CID 170614898
4-(5-Cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)piperidine
CID 67620970
3-(2H-pyran-2-yl)piperidine
CID 140987781
3-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]piperidine
CID 142028461
N-[[5-(piperidin-3-ylmethoxy)cyclohexa-2,4-dien-1-yl]methyl]propan-1-amine
CID 142041414
3-(Cyclohexa-1,5-dien-1-yloxymethyl)piperidine
CID 142125077
ethane;3-[[(2E,4E)-5-ethenyl-6-methylocta-2,4-dien-3-yl]oxymethyl]piperidine;propane
CID 143089618
3-[(5-Cyclobutylcyclohexa-1,5-dien-1-yl)oxymethyl]piperidine;ethane
CID 143089637

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexa-1,5-dien-1-yloxymethyl)piperidine;molecular hydrogen?
The IUPAC name of 3-(cyclohexa-1,5-dien-1-yloxymethyl)piperidine;molecular hydrogen (CID 142125212) is 3-(cyclohexa-1,5-dien-1-yloxymethyl)piperidine;molecular hydrogen.
What is the SMILES notation for 3-(cyclohexa-1,5-dien-1-yloxymethyl)piperidine;molecular hydrogen?
The canonical SMILES for 3-(cyclohexa-1,5-dien-1-yloxymethyl)piperidine;molecular hydrogen is C1=CC(OCC2CCCNC2)=CCC1.[H][H].
What is the InChIKey of 3-(cyclohexa-1,5-dien-1-yloxymethyl)piperidine;molecular hydrogen?
The InChIKey is FANFHOBSYBJYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO.H2/c1-2-6-12(7-3-1)14-10-11-5-4-8-13-9-11;/h2,6-7,11,13H,1,3-5,8-10H2;1H.
What are the key properties of 3-(cyclohexa-1,5-dien-1-yloxymethyl)piperidine;molecular hydrogen?
3-(cyclohexa-1,5-dien-1-yloxymethyl)piperidine;molecular hydrogen has a molecular weight of 195.31 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexa-1,5-dien-1-yloxymethyl)piperidine;molecular hydrogen is sourced from PubChem (CID 142125212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).