4-(cyclohexa-1,5-dien-1-ylmethoxymethyl)piperidine

C13H21NO — CID 166113715

IUPAC4-(cyclohexa-1,5-dien-1-ylmethoxymethyl)piperidine
SMILESC1=CC(COCC2CCNCC2)=CCC1
InChIInChI=1S/C13H21NO/c1-2-4-12(5-3-1)10-15-11-13-6-8-14-9-7-13/h2,4-5,13-14H,1,3,6-11H2
InChIKeyHBXLVDRDHDMSMN-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.28
Rot. Bonds4

About 4-(cyclohexa-1,5-dien-1-ylmethoxymethyl)piperidine

4-(cyclohexa-1,5-dien-1-ylmethoxymethyl)piperidine (PubChem CID 166113715) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-(cyclohexa-1,5-dien-1-ylmethoxymethyl)piperidine.

Molecular Properties

Compound Name4-(cyclohexa-1,5-dien-1-ylmethoxymethyl)piperidine
PubChem CID166113715
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-(cyclohexa-1,5-dien-1-ylmethoxymethyl)piperidine
SMILESC1=CC(COCC2CCNCC2)=CCC1
InChIInChI=1S/C13H21NO/c1-2-4-12(5-3-1)10-15-11-13-6-8-14-9-7-13/h2,4-5,13-14H,1,3,6-11H2
InChIKeyHBXLVDRDHDMSMN-UHFFFAOYSA-N
XLogP2.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-4-[[(2E)-4-fluoro-2-(2-methylpropyl)penta-2,4-dienoxy]methyl]piperidine
CID 138516304
4-[[(2E)-2-ethyl-4-fluoropenta-2,4-dienoxy]methyl]-4-fluoropiperidine
CID 138516487
4-[[5-Methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxymethyl]piperidine
CID 142853164
4-[2-(Cyclohexa-1,3-dien-1-ylmethoxy)-1,1-difluoroethyl]piperidine
CID 170614898
1,5-Dihydrospiro[4h-2-benzopyran-4,4'-piperidine]
CID 21268253
1-Oxa-9-azaspiro[5.5]undec-3-ene
CID 21955259
Spiro[1,3,5,6-tetrahydroisochromene-4,4'-piperidine]
CID 22372778
4-(5-Cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)piperidine
CID 67620970
2,3,4,4a,6,6a-hexahydro-1H-isochromeno[4,3-c]pyridine
CID 68731421
Spiro[3,4,5,6-tetrahydroisochromene-1,4'-piperidine]
CID 70219054
3,4-Bis(ethenyl)-2-oxa-8-azaspiro[4.5]dec-3-ene
CID 123188135
3-(Piperidin-4-ylmethoxy)cyclohexa-1,5-diene-1-carbaldehyde
CID 123391436

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexa-1,5-dien-1-ylmethoxymethyl)piperidine?
The IUPAC name of 4-(cyclohexa-1,5-dien-1-ylmethoxymethyl)piperidine (CID 166113715) is 4-(cyclohexa-1,5-dien-1-ylmethoxymethyl)piperidine.
What is the SMILES notation for 4-(cyclohexa-1,5-dien-1-ylmethoxymethyl)piperidine?
The canonical SMILES for 4-(cyclohexa-1,5-dien-1-ylmethoxymethyl)piperidine is C1=CC(COCC2CCNCC2)=CCC1.
What is the InChIKey of 4-(cyclohexa-1,5-dien-1-ylmethoxymethyl)piperidine?
The InChIKey is HBXLVDRDHDMSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-2-4-12(5-3-1)10-15-11-13-6-8-14-9-7-13/h2,4-5,13-14H,1,3,6-11H2.
What are the key properties of 4-(cyclohexa-1,5-dien-1-ylmethoxymethyl)piperidine?
4-(cyclohexa-1,5-dien-1-ylmethoxymethyl)piperidine has a molecular weight of 207.32 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexa-1,5-dien-1-ylmethoxymethyl)piperidine is sourced from PubChem (CID 166113715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).