3-[(2-methylcyclohexa-1,5-dien-1-yl)oxymethyl]piperidine

C13H21NO — CID 166104987

IUPAC3-[(2-methylcyclohexa-1,5-dien-1-yl)oxymethyl]piperidine
SMILESCC1=C(OCC2CCCNC2)C=CCC1
InChIInChI=1S/C13H21NO/c1-11-5-2-3-7-13(11)15-10-12-6-4-8-14-9-12/h3,7,12,14H,2,4-6,8-10H2,1H3
InChIKeyWVBZYCGAHLMMIG-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.63
Rot. Bonds3

About 3-[(2-methylcyclohexa-1,5-dien-1-yl)oxymethyl]piperidine

3-[(2-methylcyclohexa-1,5-dien-1-yl)oxymethyl]piperidine (PubChem CID 166104987) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-[(2-methylcyclohexa-1,5-dien-1-yl)oxymethyl]piperidine.

Molecular Properties

Compound Name3-[(2-methylcyclohexa-1,5-dien-1-yl)oxymethyl]piperidine
PubChem CID166104987
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-[(2-methylcyclohexa-1,5-dien-1-yl)oxymethyl]piperidine
SMILESCC1=C(OCC2CCCNC2)C=CCC1
InChIInChI=1S/C13H21NO/c1-11-5-2-3-7-13(11)15-10-12-6-4-8-14-9-12/h3,7,12,14H,2,4-6,8-10H2,1H3
InChIKeyWVBZYCGAHLMMIG-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
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-(Cyclohexa-1,3-dien-1-ylmethoxy)-1,1-difluoroethyl]piperidine;ethane
CID 170614897
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
1-(4-methoxycyclohexa-2,4-dien-1-yl)-N-[(4-methoxycyclohexa-1,3-dien-1-yl)methyl]methanamine
CID 71102214
6-Ethyl-7-methoxy-1,2,3,4,4a,8a-hexahydroisoquinoline
CID 89109781
4-[2-(6-Methylhepta-1,3,5-trien-3-yloxy)ethyl]piperidine
CID 91060293
4-Methoxy-5-piperidin-4-yl-1,2-dihydropyridine
CID 118610282
1-[6-ethyl-6-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-3-[(1-methylpiperidin-3-yl)methoxy]cyclohexa-1,3-dien-1-yl]-N-methylmethanamine
CID 130356531

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylcyclohexa-1,5-dien-1-yl)oxymethyl]piperidine?
The IUPAC name of 3-[(2-methylcyclohexa-1,5-dien-1-yl)oxymethyl]piperidine (CID 166104987) is 3-[(2-methylcyclohexa-1,5-dien-1-yl)oxymethyl]piperidine.
What is the SMILES notation for 3-[(2-methylcyclohexa-1,5-dien-1-yl)oxymethyl]piperidine?
The canonical SMILES for 3-[(2-methylcyclohexa-1,5-dien-1-yl)oxymethyl]piperidine is CC1=C(OCC2CCCNC2)C=CCC1.
What is the InChIKey of 3-[(2-methylcyclohexa-1,5-dien-1-yl)oxymethyl]piperidine?
The InChIKey is WVBZYCGAHLMMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-11-5-2-3-7-13(11)15-10-12-6-4-8-14-9-12/h3,7,12,14H,2,4-6,8-10H2,1H3.
What are the key properties of 3-[(2-methylcyclohexa-1,5-dien-1-yl)oxymethyl]piperidine?
3-[(2-methylcyclohexa-1,5-dien-1-yl)oxymethyl]piperidine has a molecular weight of 207.32 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylcyclohexa-1,5-dien-1-yl)oxymethyl]piperidine is sourced from PubChem (CID 166104987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).