3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-N-propylpiperidin-4-amine

C15H28N2O — CID 80720603

IUPAC3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(C2CC3CCC2O3)CC1C
InChIInChI=1S/C15H28N2O/c1-3-7-16-13-6-8-17(10-11(13)2)14-9-12-4-5-15(14)18-12/h11-16H,3-10H2,1-2H3
InChIKeyCURZJDAIQOAHDK-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.02
Rot. Bonds4

About 3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-N-propylpiperidin-4-amine

3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-N-propylpiperidin-4-amine (PubChem CID 80720603) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-N-propylpiperidin-4-amine
PubChem CID80720603
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(C2CC3CCC2O3)CC1C
InChIInChI=1S/C15H28N2O/c1-3-7-16-13-6-8-17(10-11(13)2)14-9-12-4-5-15(14)18-12/h11-16H,3-10H2,1-2H3
InChIKeyCURZJDAIQOAHDK-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-oxabicyclo[2.2.1]heptan-2-yl)-N-propylpyrrolidin-3-amine
CID 80721052
1-cyclohexyl-3-methyl-N-propylpiperidin-4-amine
CID 54975332
N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidin-4-amine
CID 80721194
2-(3,4-dimethylpyrrolidin-1-yl)-N-propylcyclohexan-1-amine
CID 79187934
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylcyclopentan-1-amine
CID 66394027
3-methyl-1-[(3-methylcyclopentyl)methyl]-N-propylpiperidin-4-amine
CID 107413462
2-(3-methoxy-4-methylpiperidin-1-yl)-N-propylcyclooctan-1-amine
CID 102965411
2-(3,4-dimethylpyrrolidin-1-yl)-N-propylcyclooctan-1-amine
CID 79188224
2-(3,4-dimethylpyrrolidin-1-yl)-N-propylcycloheptan-1-amine
CID 79188611
4-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylcyclohexan-1-amine
CID 66393072
1-(2,3-dimethylcyclohexyl)-N-ethyl-3-methylpiperidin-4-amine
CID 54975630
1,3-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidin-4-amine
CID 115728295

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-N-propylpiperidin-4-amine?
The IUPAC name of 3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-N-propylpiperidin-4-amine (CID 80720603) is 3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-N-propylpiperidin-4-amine.
What is the SMILES notation for 3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-N-propylpiperidin-4-amine?
The canonical SMILES for 3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-N-propylpiperidin-4-amine is CCCNC1CCN(C2CC3CCC2O3)CC1C.
What is the InChIKey of 3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-N-propylpiperidin-4-amine?
The InChIKey is CURZJDAIQOAHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-3-7-16-13-6-8-17(10-11(13)2)14-9-12-4-5-15(14)18-12/h11-16H,3-10H2,1-2H3.
What are the key properties of 3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-N-propylpiperidin-4-amine?
3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-N-propylpiperidin-4-amine has a molecular weight of 252.40 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-N-propylpiperidin-4-amine is sourced from PubChem (CID 80720603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).