N-ethyl-3-[4-(methoxymethyl)piperidin-1-yl]-1-phenylpropan-1-amine

C18H30N2O — CID 63971237

IUPACN-ethyl-3-[4-(methoxymethyl)piperidin-1-yl]-1-phenylpropan-1-amine
SMILESCCNC(CCN1CCC(COC)CC1)c1ccccc1
InChIInChI=1S/C18H30N2O/c1-3-19-18(17-7-5-4-6-8-17)11-14-20-12-9-16(10-13-20)15-21-2/h4-8,16,18-19H,3,9-15H2,1-2H3
InChIKeyXWQCHJARDRGNKF-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.09
Rot. Bonds8

About N-ethyl-3-[4-(methoxymethyl)piperidin-1-yl]-1-phenylpropan-1-amine

N-ethyl-3-[4-(methoxymethyl)piperidin-1-yl]-1-phenylpropan-1-amine (PubChem CID 63971237) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-ethyl-3-[4-(methoxymethyl)piperidin-1-yl]-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-[4-(methoxymethyl)piperidin-1-yl]-1-phenylpropan-1-amine
PubChem CID63971237
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-ethyl-3-[4-(methoxymethyl)piperidin-1-yl]-1-phenylpropan-1-amine
SMILESCCNC(CCN1CCC(COC)CC1)c1ccccc1
InChIInChI=1S/C18H30N2O/c1-3-19-18(17-7-5-4-6-8-17)11-14-20-12-9-16(10-13-20)15-21-2/h4-8,16,18-19H,3,9-15H2,1-2H3
InChIKeyXWQCHJARDRGNKF-UHFFFAOYSA-N
XLogP3.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-(3-methoxy-4-methylpiperidin-1-yl)-1-phenylpropan-1-amine
CID 102967163
N-ethyl-1-phenyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
CID 114539589
N-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanamine
CID 64569899
N-ethyl-1-phenyl-3-(1,4-thiazepan-4-yl)propan-1-amine
CID 62612136
2-[4-(methoxymethyl)piperidin-1-yl]-1-phenylethanamine
CID 63973658
N-[2-(4-methylpiperidin-1-yl)ethyl]-1-phenylbutan-1-amine
CID 61241035
[1-[3-(ethylamino)-3-(2-methylphenyl)propyl]piperidin-4-yl]methanol
CID 62630396
N-ethyl-1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
CID 103495170
3-(4-methylazepan-1-yl)-1-phenyl-N-propylpropan-1-amine
CID 63624687
[1-[3-(ethylamino)-3-phenylpropyl]-3-methylpyrrolidin-2-yl]methanol
CID 102789593
1-(3-chlorophenyl)-3-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylpropan-1-amine
CID 64582381
N-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-amine
CID 55094265

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[4-(methoxymethyl)piperidin-1-yl]-1-phenylpropan-1-amine?
The IUPAC name of N-ethyl-3-[4-(methoxymethyl)piperidin-1-yl]-1-phenylpropan-1-amine (CID 63971237) is N-ethyl-3-[4-(methoxymethyl)piperidin-1-yl]-1-phenylpropan-1-amine.
What is the SMILES notation for N-ethyl-3-[4-(methoxymethyl)piperidin-1-yl]-1-phenylpropan-1-amine?
The canonical SMILES for N-ethyl-3-[4-(methoxymethyl)piperidin-1-yl]-1-phenylpropan-1-amine is CCNC(CCN1CCC(COC)CC1)c1ccccc1.
What is the InChIKey of N-ethyl-3-[4-(methoxymethyl)piperidin-1-yl]-1-phenylpropan-1-amine?
The InChIKey is XWQCHJARDRGNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-19-18(17-7-5-4-6-8-17)11-14-20-12-9-16(10-13-20)15-21-2/h4-8,16,18-19H,3,9-15H2,1-2H3.
What are the key properties of N-ethyl-3-[4-(methoxymethyl)piperidin-1-yl]-1-phenylpropan-1-amine?
N-ethyl-3-[4-(methoxymethyl)piperidin-1-yl]-1-phenylpropan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[4-(methoxymethyl)piperidin-1-yl]-1-phenylpropan-1-amine is sourced from PubChem (CID 63971237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).