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

C17H28N2O2 — CID 106585949

IUPAC1-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-2-amine
SMILESCOCC1CCCN(C(c2ccc(OC)cc2)C(C)N)C1
InChIInChI=1S/C17H28N2O2/c1-13(18)17(15-6-8-16(21-3)9-7-15)19-10-4-5-14(11-19)12-20-2/h6-9,13-14,17H,4-5,10-12,18H2,1-3H3
InChIKeyBPKHZKDFKYYQCC-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.44
Rot. Bonds6

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

1-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-2-amine (PubChem CID 106585949) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-2-amine
PubChem CID106585949
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-2-amine
SMILESCOCC1CCCN(C(c2ccc(OC)cc2)C(C)N)C1
InChIInChI=1S/C17H28N2O2/c1-13(18)17(15-6-8-16(21-3)9-7-15)19-10-4-5-14(11-19)12-20-2/h6-9,13-14,17H,4-5,10-12,18H2,1-3H3
InChIKeyBPKHZKDFKYYQCC-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

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Related Compounds

2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-amine
CID 106586627
2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-ol
CID 103857720
1-(3-bromophenyl)-1-[3-(methoxymethyl)piperidin-1-yl]propan-2-amine
CID 106585979
2-[1-[1-(4-methoxyphenyl)ethyl]piperidin-3-yl]acetamide
CID 69347768
1-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)propan-2-amine
CID 55016000
2-[3-(methoxymethyl)piperidin-1-yl]-2-(4-propan-2-ylphenyl)ethanamine
CID 106586372
2-(3-ethylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanamine
CID 43584268
2-[3-(methoxymethyl)piperidin-1-yl]-3-phenylbutan-1-amine
CID 106586416
(3S)-3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 167395488
1-(3-fluorophenyl)-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-2-amine
CID 64570224
2-[4-(difluoromethyl)phenyl]-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
CID 106586267
methanol;3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 172576332

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-2-amine?
The IUPAC name of 1-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-2-amine (CID 106585949) is 1-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-2-amine?
The canonical SMILES for 1-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-2-amine is COCC1CCCN(C(c2ccc(OC)cc2)C(C)N)C1.
What is the InChIKey of 1-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-2-amine?
The InChIKey is BPKHZKDFKYYQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13(18)17(15-6-8-16(21-3)9-7-15)19-10-4-5-14(11-19)12-20-2/h6-9,13-14,17H,4-5,10-12,18H2,1-3H3.
What are the key properties of 1-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-2-amine?
1-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-2-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 1-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 106585949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).