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

C18H28N2O2 — CID 117489876

IUPAC1-[1-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]ethanamine
SMILESCOc1cc(C2(C(C)N)CC2)ccc1OC1CCN(C)CC1
InChIInChI=1S/C18H28N2O2/c1-13(19)18(8-9-18)14-4-5-16(17(12-14)21-3)22-15-6-10-20(2)11-7-15/h4-5,12-13,15H,6-11,19H2,1-3H3
InChIKeyGXEQHSRVRPWTSA-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.55
Rot. Bonds5

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

1-[1-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]ethanamine (PubChem CID 117489876) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-[1-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]ethanamine
PubChem CID117489876
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-[1-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]ethanamine
SMILESCOc1cc(C2(C(C)N)CC2)ccc1OC1CCN(C)CC1
InChIInChI=1S/C18H28N2O2/c1-13(19)18(8-9-18)14-4-5-16(17(12-14)21-3)22-15-6-10-20(2)11-7-15/h4-5,12-13,15H,6-11,19H2,1-3H3
InChIKeyGXEQHSRVRPWTSA-UHFFFAOYSA-N
XLogP2.55
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[3-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]ethanamine
CID 117438913
1-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropane-1-carboxylic acid
CID 117490723
1-[1-(3-methoxy-4-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117339161
1-[1-[3-(difluoromethyl)-4-methoxyphenyl]cyclopropyl]ethanamine
CID 117355047
1-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-amine
CID 117446741
O-[[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]hydroxylamine
CID 117420170
1-[1-(3-cyclohexyl-4-methoxyphenyl)cyclopropyl]ethanamine
CID 117436696
1-[3-methoxy-4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropan-1-ol
CID 117444399
1-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]cyclohexan-1-amine
CID 117489868
methyl 2-hydroxy-2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]acetate
CID 117494142
1-[1-[4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropyl]ethanamine
CID 117438916
1-[[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]cyclopropan-1-amine
CID 117469540

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]ethanamine?
The IUPAC name of 1-[1-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]ethanamine (CID 117489876) is 1-[1-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]ethanamine is COc1cc(C2(C(C)N)CC2)ccc1OC1CCN(C)CC1.
What is the InChIKey of 1-[1-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]ethanamine?
The InChIKey is GXEQHSRVRPWTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13(19)18(8-9-18)14-4-5-16(17(12-14)21-3)22-15-6-10-20(2)11-7-15/h4-5,12-13,15H,6-11,19H2,1-3H3.
What are the key properties of 1-[1-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]ethanamine?
1-[1-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]ethanamine has a molecular weight of 304.43 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]ethanamine is sourced from PubChem (CID 117489876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).