2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-amine

C17H28N2O2 — CID 106586627

IUPAC2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-amine
SMILESCOCC1CCCN(C(C)C(N)c2ccc(OC)cc2)C1
InChIInChI=1S/C17H28N2O2/c1-13(19-10-4-5-14(11-19)12-20-2)17(18)15-6-8-16(21-3)9-7-15/h6-9,13-14,17H,4-5,10-12,18H2,1-3H3
InChIKeyKTTVBLICSQOJET-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.44
Rot. Bonds6

About 2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-amine

2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-amine (PubChem CID 106586627) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-amine
PubChem CID106586627
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-amine
SMILESCOCC1CCCN(C(C)C(N)c2ccc(OC)cc2)C1
InChIInChI=1S/C17H28N2O2/c1-13(19-10-4-5-14(11-19)12-20-2)17(18)15-6-8-16(21-3)9-7-15/h6-9,13-14,17H,4-5,10-12,18H2,1-3H3
InChIKeyKTTVBLICSQOJET-UHFFFAOYSA-N
XLogP2.44
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-2-amine
CID 106585949
2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-ol
CID 103857720
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-amine
CID 64569900
2-[3-(methoxymethyl)piperidin-1-yl]-2-(4-propan-2-ylphenyl)ethanamine
CID 106586372
2-[4-(difluoromethyl)phenyl]-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
CID 106586267
2-(3-ethylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanamine
CID 43584268
2-[1-[1-(4-methoxyphenyl)ethyl]piperidin-3-yl]acetamide
CID 69347768
2-[3-(methoxymethyl)piperidin-1-yl]-3-phenylbutan-1-amine
CID 106586416
(3S)-3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 167395488
2-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(4-propan-2-yloxyphenyl)ethanamine
CID 64570685
1-(3-bromophenyl)-1-[3-(methoxymethyl)piperidin-1-yl]propan-2-amine
CID 106585979
methanol;3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 172576332

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-amine?
The IUPAC name of 2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-amine (CID 106586627) is 2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-amine?
The canonical SMILES for 2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-amine is COCC1CCCN(C(C)C(N)c2ccc(OC)cc2)C1.
What is the InChIKey of 2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-amine?
The InChIKey is KTTVBLICSQOJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13(19-10-4-5-14(11-19)12-20-2)17(18)15-6-8-16(21-3)9-7-15/h6-9,13-14,17H,4-5,10-12,18H2,1-3H3.
What are the key properties of 2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-amine?
2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-amine has a molecular weight of 292.42 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 106586627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).