1-[[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]cyclopropan-1-amine

C17H26N2O2 — CID 117469540

IUPAC1-[[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]cyclopropan-1-amine
SMILESCOc1ccc(CC2(N)CC2)cc1OC1CCN(C)CC1
InChIInChI=1S/C17H26N2O2/c1-19-9-5-14(6-10-19)21-16-11-13(3-4-15(16)20-2)12-17(18)7-8-17/h3-4,11,14H,5-10,12,18H2,1-2H3
InChIKeyZAQFBXGAVUAYTG-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.20
Rot. Bonds5

About 1-[[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]cyclopropan-1-amine

1-[[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]cyclopropan-1-amine (PubChem CID 117469540) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]cyclopropan-1-amine
PubChem CID117469540
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]cyclopropan-1-amine
SMILESCOc1ccc(CC2(N)CC2)cc1OC1CCN(C)CC1
InChIInChI=1S/C17H26N2O2/c1-19-9-5-14(6-10-19)21-16-11-13(3-4-15(16)20-2)12-17(18)7-8-17/h3-4,11,14H,5-10,12,18H2,1-2H3
InChIKeyZAQFBXGAVUAYTG-UHFFFAOYSA-N
XLogP2.20
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-amine
CID 117446741
1-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-ol
CID 115005708
O-[[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]hydroxylamine
CID 117420170
1-[(3-cyclobutyloxy-4-methoxyphenyl)methyl]cyclopropan-1-ol
CID 117374029
4-[(3-ethyl-4-methoxyphenyl)methyl]-1-methylpiperidin-4-amine
CID 82122007
1-[(4-cyclopropyl-3-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117309842
1-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]cyclohexan-1-amine
CID 117489868
[4-methoxy-3-(thian-4-yloxy)phenyl]methanamine
CID 115005336
4-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]butanoic acid
CID 117492355
3-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2,2-dimethylpropanoic acid
CID 117492369
3-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-methylpropanoic acid
CID 117473404
1-[1-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]ethanamine
CID 117489876

Frequently Asked Questions

What is the IUPAC name of 1-[[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]cyclopropan-1-amine?
The IUPAC name of 1-[[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]cyclopropan-1-amine (CID 117469540) is 1-[[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]cyclopropan-1-amine is COc1ccc(CC2(N)CC2)cc1OC1CCN(C)CC1.
What is the InChIKey of 1-[[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]cyclopropan-1-amine?
The InChIKey is ZAQFBXGAVUAYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-19-9-5-14(6-10-19)21-16-11-13(3-4-15(16)20-2)12-17(18)7-8-17/h3-4,11,14H,5-10,12,18H2,1-2H3.
What are the key properties of 1-[[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]cyclopropan-1-amine?
1-[[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]cyclopropan-1-amine has a molecular weight of 290.41 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]cyclopropan-1-amine is sourced from PubChem (CID 117469540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).