4-[2-(1,3,4-trimethylcyclohepta-2,4,6-trien-1-yl)oxyethyl]piperidine

C17H27NO — CID 142147605

IUPAC4-[2-(1,3,4-trimethylcyclohepta-2,4,6-trien-1-yl)oxyethyl]piperidine
SMILESCC1=CC=CC(C)(OCCC2CCNCC2)C=C1C
InChIInChI=1S/C17H27NO/c1-14-5-4-9-17(3,13-15(14)2)19-12-8-16-6-10-18-11-7-16/h4-5,9,13,16,18H,6-8,10-12H2,1-3H3
InChIKeyUEFBPPMMKQSTCD-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.61
Rot. Bonds4

About 4-[2-(1,3,4-trimethylcyclohepta-2,4,6-trien-1-yl)oxyethyl]piperidine

4-[2-(1,3,4-trimethylcyclohepta-2,4,6-trien-1-yl)oxyethyl]piperidine (PubChem CID 142147605) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-[2-(1,3,4-trimethylcyclohepta-2,4,6-trien-1-yl)oxyethyl]piperidine.

Molecular Properties

Compound Name4-[2-(1,3,4-trimethylcyclohepta-2,4,6-trien-1-yl)oxyethyl]piperidine
PubChem CID142147605
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-[2-(1,3,4-trimethylcyclohepta-2,4,6-trien-1-yl)oxyethyl]piperidine
SMILESCC1=CC=CC(C)(OCCC2CCNCC2)C=C1C
InChIInChI=1S/C17H27NO/c1-14-5-4-9-17(3,13-15(14)2)19-12-8-16-6-10-18-11-7-16/h4-5,9,13,16,18H,6-8,10-12H2,1-3H3
InChIKeyUEFBPPMMKQSTCD-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
4-[2-(Cyclohexa-1,3-dien-1-ylmethoxy)-1,1-difluoroethyl]piperidine
CID 170614898
4-[2-(6-Methylhepta-1,3,5-trien-3-yloxy)ethyl]piperidine
CID 91060293
ethane;3-[[(2E,4E)-5-ethenyl-6-methylocta-2,4-dien-3-yl]oxymethyl]piperidine;propane
CID 143089618
ethane;4-[2-[(Z)-2-methylidenepent-3-enoxy]ethyl]piperidine
CID 143277788
ethane;4-[2-[(2E,4E)-3-fluorohepta-2,4-dien-4-yl]oxyethyl]piperidine
CID 143759829
4-[2-(6-Methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidine
CID 144067829
3-[(6-Methylcyclohexa-1,5-dien-1-yl)oxymethyl]piperidine
CID 166104786
3-[(2-Methylcyclohexa-1,5-dien-1-yl)oxymethyl]piperidine
CID 166104987
4-methyl-5-[(E)-2-methylpent-1-enyl]-1-oxa-9-azaspiro[5.5]undec-4-ene
CID 169139757
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-ethylbutan-1-amine
CID 115763768

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,3,4-trimethylcyclohepta-2,4,6-trien-1-yl)oxyethyl]piperidine?
The IUPAC name of 4-[2-(1,3,4-trimethylcyclohepta-2,4,6-trien-1-yl)oxyethyl]piperidine (CID 142147605) is 4-[2-(1,3,4-trimethylcyclohepta-2,4,6-trien-1-yl)oxyethyl]piperidine.
What is the SMILES notation for 4-[2-(1,3,4-trimethylcyclohepta-2,4,6-trien-1-yl)oxyethyl]piperidine?
The canonical SMILES for 4-[2-(1,3,4-trimethylcyclohepta-2,4,6-trien-1-yl)oxyethyl]piperidine is CC1=CC=CC(C)(OCCC2CCNCC2)C=C1C.
What is the InChIKey of 4-[2-(1,3,4-trimethylcyclohepta-2,4,6-trien-1-yl)oxyethyl]piperidine?
The InChIKey is UEFBPPMMKQSTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-14-5-4-9-17(3,13-15(14)2)19-12-8-16-6-10-18-11-7-16/h4-5,9,13,16,18H,6-8,10-12H2,1-3H3.
What are the key properties of 4-[2-(1,3,4-trimethylcyclohepta-2,4,6-trien-1-yl)oxyethyl]piperidine?
4-[2-(1,3,4-trimethylcyclohepta-2,4,6-trien-1-yl)oxyethyl]piperidine has a molecular weight of 261.41 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,3,4-trimethylcyclohepta-2,4,6-trien-1-yl)oxyethyl]piperidine is sourced from PubChem (CID 142147605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).