N-[[4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine

C17H34N2O2 — CID 107395205

IUPACN-[[4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine
SMILESCOC1(C)CCCN(CC2(CNC(C)C)CCOCC2)C1
InChIInChI=1S/C17H34N2O2/c1-15(2)18-12-17(7-10-21-11-8-17)14-19-9-5-6-16(3,13-19)20-4/h15,18H,5-14H2,1-4H3
InChIKeyHFPQLPHAKPUMDY-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.28
Rot. Bonds6

About N-[[4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine

N-[[4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine (PubChem CID 107395205) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is N-[[4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine
PubChem CID107395205
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC NameN-[[4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine
SMILESCOC1(C)CCCN(CC2(CNC(C)C)CCOCC2)C1
InChIInChI=1S/C17H34N2O2/c1-15(2)18-12-17(7-10-21-11-8-17)14-19-9-5-6-16(3,13-19)20-4/h15,18H,5-14H2,1-4H3
InChIKeyHFPQLPHAKPUMDY-UHFFFAOYSA-N
XLogP2.28
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine with MolForge

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Related Compounds

1-[[4-(bromomethyl)oxan-4-yl]methyl]-3-methoxy-3-methylpiperidine
CID 107394406
1-[1-[(3-methoxy-3-methylpiperidin-1-yl)methyl]cycloheptyl]-N-methylmethanamine
CID 107395224
N-[[4-[(3-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine
CID 55066136
N-[[4-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine
CID 62392915
N-[[3-[(2,2-dimethylmorpholin-4-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62258067
3-methyl-1-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]piperidin-4-ol
CID 114682037
N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]propan-2-amine
CID 171756110
N-[(4-ethyloxan-4-yl)methyl]propan-2-amine
CID 62905554
N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 55249798
N-[[3-[(4-propylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62258098
1-(3-methoxy-3-methylpiperidin-1-yl)-3-methylbutan-2-ol
CID 107394547
1-[(3-methoxy-3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 107393225

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine (CID 107395205) is N-[[4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine is COC1(C)CCCN(CC2(CNC(C)C)CCOCC2)C1.
What is the InChIKey of N-[[4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine?
The InChIKey is HFPQLPHAKPUMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-15(2)18-12-17(7-10-21-11-8-17)14-19-9-5-6-16(3,13-19)20-4/h15,18H,5-14H2,1-4H3.
What are the key properties of N-[[4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine?
N-[[4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine has a molecular weight of 298.47 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 107395205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).