N-ethyl-3-[(3-propoxypiperidin-1-yl)methyl]oxan-4-amine

C16H32N2O2 — CID 103059767

IUPACN-ethyl-3-[(3-propoxypiperidin-1-yl)methyl]oxan-4-amine
SMILESCCCOC1CCCN(CC2COCCC2NCC)C1
InChIInChI=1S/C16H32N2O2/c1-3-9-20-15-6-5-8-18(12-15)11-14-13-19-10-7-16(14)17-4-2/h14-17H,3-13H2,1-2H3
InChIKeyCBOBDXBAVXGKRW-UHFFFAOYSA-N
MW284.44 g/mol
LogP1.89
Rot. Bonds7

About N-ethyl-3-[(3-propoxypiperidin-1-yl)methyl]oxan-4-amine

N-ethyl-3-[(3-propoxypiperidin-1-yl)methyl]oxan-4-amine (PubChem CID 103059767) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is N-ethyl-3-[(3-propoxypiperidin-1-yl)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-ethyl-3-[(3-propoxypiperidin-1-yl)methyl]oxan-4-amine
PubChem CID103059767
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC NameN-ethyl-3-[(3-propoxypiperidin-1-yl)methyl]oxan-4-amine
SMILESCCCOC1CCCN(CC2COCCC2NCC)C1
InChIInChI=1S/C16H32N2O2/c1-3-9-20-15-6-5-8-18(12-15)11-14-13-19-10-7-16(14)17-4-2/h14-17H,3-13H2,1-2H3
InChIKeyCBOBDXBAVXGKRW-UHFFFAOYSA-N
XLogP1.89
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-propoxypiperidin-1-yl)ethyl]oxan-4-amine
CID 63098996
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-N-ethyloxan-4-amine
CID 103060558
N-ethyl-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-amine
CID 107395161
N-ethyl-3-[(4-propylpiperidin-1-yl)methyl]oxan-4-amine
CID 103059033
N-ethyl-3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]oxan-4-amine
CID 103060481
N-propyl-3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]oxan-4-amine
CID 103060409
4-methyl-2-[(3-propoxypiperidin-1-yl)methyl]cyclohexan-1-ol
CID 55094581
[1-[[4-(ethylamino)oxan-3-yl]methyl]-3-methylpyrrolidin-2-yl]methanol
CID 103061043
2-[2-(3-propoxypiperidin-1-yl)ethyl]-N-propylcyclopentan-1-amine
CID 79577334
4-[(3-propoxypiperidin-1-yl)methyl]cyclohexan-1-amine
CID 54990160
N-ethyl-3-[(2-methylazepan-1-yl)methyl]oxan-4-amine
CID 103060277
3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N-ethyloxan-4-amine
CID 103059901

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(3-propoxypiperidin-1-yl)methyl]oxan-4-amine?
The IUPAC name of N-ethyl-3-[(3-propoxypiperidin-1-yl)methyl]oxan-4-amine (CID 103059767) is N-ethyl-3-[(3-propoxypiperidin-1-yl)methyl]oxan-4-amine.
What is the SMILES notation for N-ethyl-3-[(3-propoxypiperidin-1-yl)methyl]oxan-4-amine?
The canonical SMILES for N-ethyl-3-[(3-propoxypiperidin-1-yl)methyl]oxan-4-amine is CCCOC1CCCN(CC2COCCC2NCC)C1.
What is the InChIKey of N-ethyl-3-[(3-propoxypiperidin-1-yl)methyl]oxan-4-amine?
The InChIKey is CBOBDXBAVXGKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-3-9-20-15-6-5-8-18(12-15)11-14-13-19-10-7-16(14)17-4-2/h14-17H,3-13H2,1-2H3.
What are the key properties of N-ethyl-3-[(3-propoxypiperidin-1-yl)methyl]oxan-4-amine?
N-ethyl-3-[(3-propoxypiperidin-1-yl)methyl]oxan-4-amine has a molecular weight of 284.44 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(3-propoxypiperidin-1-yl)methyl]oxan-4-amine is sourced from PubChem (CID 103059767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).