3-[3-(methoxymethyl)piperidin-1-yl]-N,2-dimethyl-1-phenylpropan-1-amine

C18H30N2O — CID 106589070

IUPAC3-[3-(methoxymethyl)piperidin-1-yl]-N,2-dimethyl-1-phenylpropan-1-amine
SMILESCNC(c1ccccc1)C(C)CN1CCCC(COC)C1
InChIInChI=1S/C18H30N2O/c1-15(18(19-2)17-9-5-4-6-10-17)12-20-11-7-8-16(13-20)14-21-3/h4-6,9-10,15-16,18-19H,7-8,11-14H2,1-3H3
InChIKeyNHUWCNGIBDJBMB-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.94
Rot. Bonds7

About 3-[3-(methoxymethyl)piperidin-1-yl]-N,2-dimethyl-1-phenylpropan-1-amine

3-[3-(methoxymethyl)piperidin-1-yl]-N,2-dimethyl-1-phenylpropan-1-amine (PubChem CID 106589070) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 3-[3-(methoxymethyl)piperidin-1-yl]-N,2-dimethyl-1-phenylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(methoxymethyl)piperidin-1-yl]-N,2-dimethyl-1-phenylpropan-1-amine
PubChem CID106589070
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name3-[3-(methoxymethyl)piperidin-1-yl]-N,2-dimethyl-1-phenylpropan-1-amine
SMILESCNC(c1ccccc1)C(C)CN1CCCC(COC)C1
InChIInChI=1S/C18H30N2O/c1-15(18(19-2)17-9-5-4-6-10-17)12-20-11-7-8-16(13-20)14-21-3/h4-6,9-10,15-16,18-19H,7-8,11-14H2,1-3H3
InChIKeyNHUWCNGIBDJBMB-UHFFFAOYSA-N
XLogP2.94
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-N,2-dimethyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine
CID 70936493
N,2-dimethyl-1-phenyl-3-piperidin-1-ylpropan-1-amine
CID 62618709
methyl 3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoate
CID 64559049
1-[3-(ethylamino)-2-methyl-3-phenylpropyl]piperidin-3-ol
CID 62619132
methyl 3-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropanoate
CID 64564821
1-(2-fluorophenyl)-3-(3-methoxypiperidin-1-yl)-N,2-dimethylpropan-1-amine
CID 102967344
1-(5-fluoro-2-pyridinyl)-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-ol
CID 106589121
N-[[1-(2-phenylpropyl)piperidin-3-yl]methyl]propan-2-amine
CID 63240509
[1-[2-methyl-3-(methylamino)-3-phenylpropyl]piperidin-2-yl]methanol
CID 62617928
[(3R)-1-[(2S)-2-phenylpropyl]piperidin-3-yl]methanol
CID 129425520
N,2-dimethyl-3-(1-oxo-1,4-thiazinan-4-yl)-1-phenylpropan-1-amine
CID 62617575
2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)ethanamine
CID 106586509

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methoxymethyl)piperidin-1-yl]-N,2-dimethyl-1-phenylpropan-1-amine?
The IUPAC name of 3-[3-(methoxymethyl)piperidin-1-yl]-N,2-dimethyl-1-phenylpropan-1-amine (CID 106589070) is 3-[3-(methoxymethyl)piperidin-1-yl]-N,2-dimethyl-1-phenylpropan-1-amine.
What is the SMILES notation for 3-[3-(methoxymethyl)piperidin-1-yl]-N,2-dimethyl-1-phenylpropan-1-amine?
The canonical SMILES for 3-[3-(methoxymethyl)piperidin-1-yl]-N,2-dimethyl-1-phenylpropan-1-amine is CNC(c1ccccc1)C(C)CN1CCCC(COC)C1.
What is the InChIKey of 3-[3-(methoxymethyl)piperidin-1-yl]-N,2-dimethyl-1-phenylpropan-1-amine?
The InChIKey is NHUWCNGIBDJBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-15(18(19-2)17-9-5-4-6-10-17)12-20-11-7-8-16(13-20)14-21-3/h4-6,9-10,15-16,18-19H,7-8,11-14H2,1-3H3.
What are the key properties of 3-[3-(methoxymethyl)piperidin-1-yl]-N,2-dimethyl-1-phenylpropan-1-amine?
3-[3-(methoxymethyl)piperidin-1-yl]-N,2-dimethyl-1-phenylpropan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methoxymethyl)piperidin-1-yl]-N,2-dimethyl-1-phenylpropan-1-amine is sourced from PubChem (CID 106589070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).