1-[1-[3-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]ethanamine

C17H26N2O — CID 117438913

IUPAC1-[1-[3-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]ethanamine
SMILESCC(N)C1(c2cccc(OC3CCN(C)CC3)c2)CC1
InChIInChI=1S/C17H26N2O/c1-13(18)17(8-9-17)14-4-3-5-16(12-14)20-15-6-10-19(2)11-7-15/h3-5,12-13,15H,6-11,18H2,1-2H3
InChIKeyAELKAKCYWBIICJ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.54
Rot. Bonds4

About 1-[1-[3-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]ethanamine

1-[1-[3-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]ethanamine (PubChem CID 117438913) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[1-[3-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-[3-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]ethanamine
PubChem CID117438913
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-[1-[3-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]ethanamine
SMILESCC(N)C1(c2cccc(OC3CCN(C)CC3)c2)CC1
InChIInChI=1S/C17H26N2O/c1-13(18)17(8-9-17)14-4-3-5-16(12-14)20-15-6-10-19(2)11-7-15/h3-5,12-13,15H,6-11,18H2,1-2H3
InChIKeyAELKAKCYWBIICJ-UHFFFAOYSA-N
XLogP2.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-cyclopropyloxyphenyl)cyclopropyl]ethanamine
CID 117309977
[1-[3-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]methanamine
CID 117405750
1-[1-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]ethanamine
CID 117489876
3-(1-methylpiperidin-4-yl)oxyaniline;dihydrochloride
CID 117045727
1-[1-[4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropyl]ethanamine
CID 117438916
4-(3-cyclopropyloxyphenyl)-1-methylazepan-4-ol
CID 114520909
[3-(1-methylpiperidin-4-yl)oxyphenyl]methanamine;hydrochloride
CID 68965595
2-[3-(1-methylpiperidin-4-yl)oxyphenyl]propan-1-ol
CID 117377386
(3-cyclopropyloxyphenyl)-(1-phenylcyclopropyl)methanamine
CID 114521682
1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclopentan-1-amine
CID 117368744
2-methyl-3-[3-(1-methylpiperidin-4-yl)oxyphenyl]propanoic acid
CID 117444550
3-amino-2-[3-(1-methylpiperidin-4-yl)oxyphenyl]propanoic acid
CID 117446398

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]ethanamine?
The IUPAC name of 1-[1-[3-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]ethanamine (CID 117438913) is 1-[1-[3-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-[3-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-[3-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]ethanamine is CC(N)C1(c2cccc(OC3CCN(C)CC3)c2)CC1.
What is the InChIKey of 1-[1-[3-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]ethanamine?
The InChIKey is AELKAKCYWBIICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(18)17(8-9-17)14-4-3-5-16(12-14)20-15-6-10-19(2)11-7-15/h3-5,12-13,15H,6-11,18H2,1-2H3.
What are the key properties of 1-[1-[3-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]ethanamine?
1-[1-[3-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]ethanamine has a molecular weight of 274.41 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]ethanamine is sourced from PubChem (CID 117438913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).