2-[4-[1-(1-methylpiperidin-3-yl)ethoxy]phenyl]ethanamine

C16H26N2O — CID 117095330

IUPAC2-[4-[1-(1-methylpiperidin-3-yl)ethoxy]phenyl]ethanamine
SMILESCC(Oc1ccc(CCN)cc1)C1CCCN(C)C1
InChIInChI=1S/C16H26N2O/c1-13(15-4-3-11-18(2)12-15)19-16-7-5-14(6-8-16)9-10-17/h5-8,13,15H,3-4,9-12,17H2,1-2H3
InChIKeyROIGVASZYBVBKG-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.30
Rot. Bonds5

About 2-[4-[1-(1-methylpiperidin-3-yl)ethoxy]phenyl]ethanamine

2-[4-[1-(1-methylpiperidin-3-yl)ethoxy]phenyl]ethanamine (PubChem CID 117095330) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[4-[1-(1-methylpiperidin-3-yl)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[1-(1-methylpiperidin-3-yl)ethoxy]phenyl]ethanamine
PubChem CID117095330
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[4-[1-(1-methylpiperidin-3-yl)ethoxy]phenyl]ethanamine
SMILESCC(Oc1ccc(CCN)cc1)C1CCCN(C)C1
InChIInChI=1S/C16H26N2O/c1-13(15-4-3-11-18(2)12-15)19-16-7-5-14(6-8-16)9-10-17/h5-8,13,15H,3-4,9-12,17H2,1-2H3
InChIKeyROIGVASZYBVBKG-UHFFFAOYSA-N
XLogP2.30
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(1-methylpiperidin-3-yl)ethoxy]phenyl]ethanamine?
The IUPAC name of 2-[4-[1-(1-methylpiperidin-3-yl)ethoxy]phenyl]ethanamine (CID 117095330) is 2-[4-[1-(1-methylpiperidin-3-yl)ethoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[1-(1-methylpiperidin-3-yl)ethoxy]phenyl]ethanamine?
The canonical SMILES for 2-[4-[1-(1-methylpiperidin-3-yl)ethoxy]phenyl]ethanamine is CC(Oc1ccc(CCN)cc1)C1CCCN(C)C1.
What is the InChIKey of 2-[4-[1-(1-methylpiperidin-3-yl)ethoxy]phenyl]ethanamine?
The InChIKey is ROIGVASZYBVBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(15-4-3-11-18(2)12-15)19-16-7-5-14(6-8-16)9-10-17/h5-8,13,15H,3-4,9-12,17H2,1-2H3.
What are the key properties of 2-[4-[1-(1-methylpiperidin-3-yl)ethoxy]phenyl]ethanamine?
2-[4-[1-(1-methylpiperidin-3-yl)ethoxy]phenyl]ethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(1-methylpiperidin-3-yl)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 117095330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).