ethane;1-methyl-4-piperidin-4-yloxypiperidine

C13H28N2O — CID 170629571

IUPACethane;1-methyl-4-piperidin-4-yloxypiperidine
SMILESCC.CN1CCC(OC2CCNCC2)CC1
InChIInChI=1S/C11H22N2O.C2H6/c1-13-8-4-11(5-9-13)14-10-2-6-12-7-3-10;1-2/h10-12H,2-9H2,1H3;1-2H3
InChIKeySAOHMUUGZDBEJY-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.88
Rot. Bonds2

About ethane;1-methyl-4-piperidin-4-yloxypiperidine

ethane;1-methyl-4-piperidin-4-yloxypiperidine (PubChem CID 170629571) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is ethane;1-methyl-4-piperidin-4-yloxypiperidine.

Molecular Properties

Compound Nameethane;1-methyl-4-piperidin-4-yloxypiperidine
PubChem CID170629571
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Nameethane;1-methyl-4-piperidin-4-yloxypiperidine
SMILESCC.CN1CCC(OC2CCNCC2)CC1
InChIInChI=1S/C11H22N2O.C2H6/c1-13-8-4-11(5-9-13)14-10-2-6-12-7-3-10;1-2/h10-12H,2-9H2,1H3;1-2H3
InChIKeySAOHMUUGZDBEJY-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-piperidin-4-yloxypiperidine;hydrochloride
CID 84819365
4-(azetidin-3-yloxy)-1-methylpiperidine
CID 146420292
(3S)-1-methyl-3-piperidin-4-yloxypiperidine
CID 97181123
4-(4-piperidin-4-yloxycyclohexyl)oxypiperidine
CID 165136805
4-(1-tert-butylpyrrolidin-3-yl)oxypiperidine
CID 117046241
ethane;2-methyl-6-(1-methylpiperidin-4-yl)oxy-2-azaspiro[3.3]heptane
CID 171786154
4-piperidin-4-yloxypiperidine-1-carboxylic acid
CID 69156881
4-[(1R,3R)-3-piperidin-4-yloxycyclopentyl]oxypiperidine
CID 165137114
ethane;1-methylpiperazine;4-methylpiperidine
CID 145158402
ethane;1-methylpiperazine;4-methylpiperidine
CID 166533562
N-(1-methylpiperidin-4-yl)oxypiperidin-4-imine
CID 58333613
4-(azetidin-3-yloxy)piperidine;dihydrochloride
CID 155892166

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-piperidin-4-yloxypiperidine?
The IUPAC name of ethane;1-methyl-4-piperidin-4-yloxypiperidine (CID 170629571) is ethane;1-methyl-4-piperidin-4-yloxypiperidine.
What is the SMILES notation for ethane;1-methyl-4-piperidin-4-yloxypiperidine?
The canonical SMILES for ethane;1-methyl-4-piperidin-4-yloxypiperidine is CC.CN1CCC(OC2CCNCC2)CC1.
What is the InChIKey of ethane;1-methyl-4-piperidin-4-yloxypiperidine?
The InChIKey is SAOHMUUGZDBEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O.C2H6/c1-13-8-4-11(5-9-13)14-10-2-6-12-7-3-10;1-2/h10-12H,2-9H2,1H3;1-2H3.
What are the key properties of ethane;1-methyl-4-piperidin-4-yloxypiperidine?
ethane;1-methyl-4-piperidin-4-yloxypiperidine has a molecular weight of 228.38 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-piperidin-4-yloxypiperidine is sourced from PubChem (CID 170629571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).