2-[3-(methoxymethyl)piperidin-1-yl]-2-(4-propan-2-ylphenyl)ethanamine

C18H30N2O — CID 106586372

IUPAC2-[3-(methoxymethyl)piperidin-1-yl]-2-(4-propan-2-ylphenyl)ethanamine
SMILESCOCC1CCCN(C(CN)c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C18H30N2O/c1-14(2)16-6-8-17(9-7-16)18(11-19)20-10-4-5-15(12-20)13-21-3/h6-9,14-15,18H,4-5,10-13,19H2,1-3H3
InChIKeyRNIQEHAEWYFSJF-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.17
Rot. Bonds6

About 2-[3-(methoxymethyl)piperidin-1-yl]-2-(4-propan-2-ylphenyl)ethanamine

2-[3-(methoxymethyl)piperidin-1-yl]-2-(4-propan-2-ylphenyl)ethanamine (PubChem CID 106586372) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)piperidin-1-yl]-2-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name2-[3-(methoxymethyl)piperidin-1-yl]-2-(4-propan-2-ylphenyl)ethanamine
PubChem CID106586372
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-[3-(methoxymethyl)piperidin-1-yl]-2-(4-propan-2-ylphenyl)ethanamine
SMILESCOCC1CCCN(C(CN)c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C18H30N2O/c1-14(2)16-6-8-17(9-7-16)18(11-19)20-10-4-5-15(12-20)13-21-3/h6-9,14-15,18H,4-5,10-13,19H2,1-3H3
InChIKeyRNIQEHAEWYFSJF-UHFFFAOYSA-N
XLogP3.17
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(difluoromethyl)phenyl]-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
CID 106586267
2-(3-bromo-4-methylphenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
CID 106586275
2-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(4-propan-2-yloxyphenyl)ethanamine
CID 64570685
2-(3-ethylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanamine
CID 43584268
2-(5-chlorothiophen-2-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
CID 106586033
2-(4-ethoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine
CID 43584286
[1-[2-amino-1-(4-chlorophenyl)ethyl]piperidin-3-yl]methanol
CID 55014997
2-[3-(methoxymethyl)piperidin-1-yl]-3-phenylbutan-1-amine
CID 106586416
2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-amine
CID 106586627
2-[3-(methoxymethyl)piperidin-1-yl]-2-(3-propan-2-ylimidazol-4-yl)ethanamine
CID 106586426
1-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-2-amine
CID 106585949
2-(4-bromo-3-methylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 66479758

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)piperidin-1-yl]-2-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of 2-[3-(methoxymethyl)piperidin-1-yl]-2-(4-propan-2-ylphenyl)ethanamine (CID 106586372) is 2-[3-(methoxymethyl)piperidin-1-yl]-2-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 2-[3-(methoxymethyl)piperidin-1-yl]-2-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 2-[3-(methoxymethyl)piperidin-1-yl]-2-(4-propan-2-ylphenyl)ethanamine is COCC1CCCN(C(CN)c2ccc(C(C)C)cc2)C1.
What is the InChIKey of 2-[3-(methoxymethyl)piperidin-1-yl]-2-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is RNIQEHAEWYFSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-14(2)16-6-8-17(9-7-16)18(11-19)20-10-4-5-15(12-20)13-21-3/h6-9,14-15,18H,4-5,10-13,19H2,1-3H3.
What are the key properties of 2-[3-(methoxymethyl)piperidin-1-yl]-2-(4-propan-2-ylphenyl)ethanamine?
2-[3-(methoxymethyl)piperidin-1-yl]-2-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 290.45 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)piperidin-1-yl]-2-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 106586372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).