3-(4-methoxyphenoxy)-2-(1-methylpiperidin-4-yl)propan-1-amine

C16H26N2O2 — CID 117239407

IUPAC3-(4-methoxyphenoxy)-2-(1-methylpiperidin-4-yl)propan-1-amine
SMILESCOc1ccc(OCC(CN)C2CCN(C)CC2)cc1
InChIInChI=1S/C16H26N2O2/c1-18-9-7-13(8-10-18)14(11-17)12-20-16-5-3-15(19-2)4-6-16/h3-6,13-14H,7-12,17H2,1-2H3
InChIKeyNVTMSSUNASFMAS-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.99
Rot. Bonds6

About 3-(4-methoxyphenoxy)-2-(1-methylpiperidin-4-yl)propan-1-amine

3-(4-methoxyphenoxy)-2-(1-methylpiperidin-4-yl)propan-1-amine (PubChem CID 117239407) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-(4-methoxyphenoxy)-2-(1-methylpiperidin-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-methoxyphenoxy)-2-(1-methylpiperidin-4-yl)propan-1-amine
PubChem CID117239407
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-(4-methoxyphenoxy)-2-(1-methylpiperidin-4-yl)propan-1-amine
SMILESCOc1ccc(OCC(CN)C2CCN(C)CC2)cc1
InChIInChI=1S/C16H26N2O2/c1-18-9-7-13(8-10-18)14(11-17)12-20-16-5-3-15(19-2)4-6-16/h3-6,13-14H,7-12,17H2,1-2H3
InChIKeyNVTMSSUNASFMAS-UHFFFAOYSA-N
XLogP1.99
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylpyrrolidin-3-yl)-3-(4-methoxyphenoxy)propan-1-amine
CID 117237996
2-(1-ethylpiperidin-4-yl)-3-(4-methylphenoxy)propan-1-amine
CID 117239412
2-(4-methylphenoxy)-1-(1-methylpiperidin-4-yl)ethanamine
CID 117238902
3-phenoxy-2-(1-propan-2-ylpiperidin-4-yl)propan-1-amine
CID 117239247
1-(1-ethylpiperidin-4-yl)-2-(4-methoxyphenoxy)ethanamine
CID 117238940
1-(1-methylpiperidin-4-yl)-2-phenoxyethanamine
CID 117238723
3-(4-methylphenoxy)-2-(oxan-4-yl)propan-1-amine
CID 117239353
4-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethoxy]phenol
CID 117238923
2-(4-chlorophenoxy)-1-(1-methylpyrrolidin-3-yl)ethanamine
CID 117237457
4-[3-amino-2-(1,1-dioxothian-4-yl)propoxy]phenol
CID 117239371
2-(4-bromophenoxy)-1-(1-methylpiperidin-4-yl)ethanol
CID 117238916
3-(4-chlorophenoxy)-2-(thian-4-yl)propan-1-amine
CID 117239379

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenoxy)-2-(1-methylpiperidin-4-yl)propan-1-amine?
The IUPAC name of 3-(4-methoxyphenoxy)-2-(1-methylpiperidin-4-yl)propan-1-amine (CID 117239407) is 3-(4-methoxyphenoxy)-2-(1-methylpiperidin-4-yl)propan-1-amine.
What is the SMILES notation for 3-(4-methoxyphenoxy)-2-(1-methylpiperidin-4-yl)propan-1-amine?
The canonical SMILES for 3-(4-methoxyphenoxy)-2-(1-methylpiperidin-4-yl)propan-1-amine is COc1ccc(OCC(CN)C2CCN(C)CC2)cc1.
What is the InChIKey of 3-(4-methoxyphenoxy)-2-(1-methylpiperidin-4-yl)propan-1-amine?
The InChIKey is NVTMSSUNASFMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-18-9-7-13(8-10-18)14(11-17)12-20-16-5-3-15(19-2)4-6-16/h3-6,13-14H,7-12,17H2,1-2H3.
What are the key properties of 3-(4-methoxyphenoxy)-2-(1-methylpiperidin-4-yl)propan-1-amine?
3-(4-methoxyphenoxy)-2-(1-methylpiperidin-4-yl)propan-1-amine has a molecular weight of 278.40 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenoxy)-2-(1-methylpiperidin-4-yl)propan-1-amine is sourced from PubChem (CID 117239407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).