(1S,5R)-3-(1-methylpiperidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane

C12H22N2O — CID 153455906

IUPAC(1S,5R)-3-(1-methylpiperidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCN1CCC(N2C[C@H]3CC[C@@H](C2)O3)CC1
InChIInChI=1S/C12H22N2O/c1-13-6-4-10(5-7-13)14-8-11-2-3-12(9-14)15-11/h10-12H,2-9H2,1H3/t11-,12+
InChIKeyCKPDLDVEHGXGHT-TXEJJXNPSA-N
MW210.32 g/mol
LogP0.94
Rot. Bonds1

About (1S,5R)-3-(1-methylpiperidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane

(1S,5R)-3-(1-methylpiperidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 153455906) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (1S,5R)-3-(1-methylpiperidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5R)-3-(1-methylpiperidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID153455906
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(1S,5R)-3-(1-methylpiperidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCN1CCC(N2C[C@H]3CC[C@@H](C2)O3)CC1
InChIInChI=1S/C12H22N2O/c1-13-6-4-10(5-7-13)14-8-11-2-3-12(9-14)15-11/h10-12H,2-9H2,1H3/t11-,12+
InChIKeyCKPDLDVEHGXGHT-TXEJJXNPSA-N
XLogP0.94
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1S,5R)-3-(1-methylpiperidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane with MolForge

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Related Compounds

3-(1-methylpiperidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 142374950
4-[(1R,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]cyclohexan-1-amine
CID 68577038
3,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidine
CID 2846436
4-(3-methoxyazetidin-1-yl)-1-methylpiperidine
CID 59284540
ethane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 144911273
1-methyl-4-[3-(4-methylpiperidin-1-yl)azetidin-1-yl]piperidine
CID 169257843
(3aR,5S,6S,7aS)-2-(1-methylpiperidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-5,6-diol
CID 131940845
3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclobutan-1-amine
CID 80561522
4-fluoro-1-(1-methylpiperidin-4-yl)piperidine
CID 90227733
3-cyclohexyl-6-oxa-3-azabicyclo[3.1.1]heptane
CID 156712366
1-methyl-4-[1-(1-methylpyrrolidin-3-yl)azetidin-3-yl]piperazine
CID 167091081
3-(5-methylpyrrolidin-3-yl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 130528585

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-(1-methylpiperidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of (1S,5R)-3-(1-methylpiperidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane (CID 153455906) is (1S,5R)-3-(1-methylpiperidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5R)-3-(1-methylpiperidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5R)-3-(1-methylpiperidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane is CN1CCC(N2C[C@H]3CC[C@@H](C2)O3)CC1.
What is the InChIKey of (1S,5R)-3-(1-methylpiperidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is CKPDLDVEHGXGHT-TXEJJXNPSA-N. The full InChI is InChI=1S/C12H22N2O/c1-13-6-4-10(5-7-13)14-8-11-2-3-12(9-14)15-11/h10-12H,2-9H2,1H3/t11-,12+.
What are the key properties of (1S,5R)-3-(1-methylpiperidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane?
(1S,5R)-3-(1-methylpiperidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 210.32 g/mol, XLogP of 0.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-(1-methylpiperidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 153455906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).