ethane;4-(3-ethylcyclobutyl)oxypiperidine

C13H27NO — CID 176985395

IUPACethane;4-(3-ethylcyclobutyl)oxypiperidine
SMILESCC.CCC1CC(OC2CCNCC2)C1
InChIInChI=1S/C11H21NO.C2H6/c1-2-9-7-11(8-9)13-10-3-5-12-6-4-10;1-2/h9-12H,2-8H2,1H3;1-2H3
InChIKeyAZTJEUAJDMMXQB-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds3

About ethane;4-(3-ethylcyclobutyl)oxypiperidine

ethane;4-(3-ethylcyclobutyl)oxypiperidine (PubChem CID 176985395) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is ethane;4-(3-ethylcyclobutyl)oxypiperidine.

Molecular Properties

Compound Nameethane;4-(3-ethylcyclobutyl)oxypiperidine
PubChem CID176985395
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Nameethane;4-(3-ethylcyclobutyl)oxypiperidine
SMILESCC.CCC1CC(OC2CCNCC2)C1
InChIInChI=1S/C11H21NO.C2H6/c1-2-9-7-11(8-9)13-10-3-5-12-6-4-10;1-2/h9-12H,2-8H2,1H3;1-2H3
InChIKeyAZTJEUAJDMMXQB-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-piperidin-4-yloxycyclohexyl)oxypiperidine
CID 165136805
methyl 3-piperidin-4-yloxycyclobutane-1-carboxylate
CID 146340071
4-[(1R,3R)-3-piperidin-4-yloxycyclopentyl]oxypiperidine
CID 165137114
3-piperidin-4-yloxycyclobutane-1-carboxylic acid
CID 123395248
ethane;1-methyl-4-piperidin-4-yloxypiperidine
CID 170629571
4-[2-(4-ethylcyclohexyl)ethoxy]piperidine
CID 176984075
3-(3-ethylcyclohexyl)oxy-4-methylpiperidine
CID 102954193
N-methyl-2-(4-piperidin-4-yloxycyclohexyl)ethanamine
CID 171641847
ethane;3-ethylpyrrolidine
CID 143803201
4-(azetidin-3-yloxy)piperidine;dihydrochloride
CID 155892166
(4R)-4-cyclobutyloxyazepane
CID 124508837
4-(4-ethylcyclohexyl)piperidine
CID 20603175

Frequently Asked Questions

What is the IUPAC name of ethane;4-(3-ethylcyclobutyl)oxypiperidine?
The IUPAC name of ethane;4-(3-ethylcyclobutyl)oxypiperidine (CID 176985395) is ethane;4-(3-ethylcyclobutyl)oxypiperidine.
What is the SMILES notation for ethane;4-(3-ethylcyclobutyl)oxypiperidine?
The canonical SMILES for ethane;4-(3-ethylcyclobutyl)oxypiperidine is CC.CCC1CC(OC2CCNCC2)C1.
What is the InChIKey of ethane;4-(3-ethylcyclobutyl)oxypiperidine?
The InChIKey is AZTJEUAJDMMXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO.C2H6/c1-2-9-7-11(8-9)13-10-3-5-12-6-4-10;1-2/h9-12H,2-8H2,1H3;1-2H3.
What are the key properties of ethane;4-(3-ethylcyclobutyl)oxypiperidine?
ethane;4-(3-ethylcyclobutyl)oxypiperidine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(3-ethylcyclobutyl)oxypiperidine is sourced from PubChem (CID 176985395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).