[1-[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]cyclobutyl]methanamine

C18H28N2O2 — CID 117489833

IUPAC[1-[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]cyclobutyl]methanamine
SMILESCOc1c(OC2CCN(C)CC2)cccc1C1(CN)CCC1
InChIInChI=1S/C18H28N2O2/c1-20-11-7-14(8-12-20)22-16-6-3-5-15(17(16)21-2)18(13-19)9-4-10-18/h3,5-6,14H,4,7-13,19H2,1-2H3
InChIKeyGQLQTSPJXAGOON-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.55
Rot. Bonds5

About [1-[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]cyclobutyl]methanamine

[1-[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]cyclobutyl]methanamine (PubChem CID 117489833) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is [1-[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]cyclobutyl]methanamine
PubChem CID117489833
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name[1-[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]cyclobutyl]methanamine
SMILESCOc1c(OC2CCN(C)CC2)cccc1C1(CN)CCC1
InChIInChI=1S/C18H28N2O2/c1-20-11-7-14(8-12-20)22-16-6-3-5-15(17(16)21-2)18(13-19)9-4-10-18/h3,5-6,14H,4,7-13,19H2,1-2H3
InChIKeyGQLQTSPJXAGOON-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-[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]cyclobutyl]methanamine
CID 117469400
[1-(2-cyclobutyloxy-3-methoxyphenyl)cyclobutyl]methanamine
CID 117408015
[1-(2-cyclopropyloxy-3-methoxyphenyl)cyclopentyl]methanamine
CID 117407993
[1-[3-methoxy-2-(thian-4-yloxy)phenyl]cyclobutyl]methanamine
CID 117492478
[1-(2,3-dimethoxyphenyl)cyclopropyl]methanamine
CID 82611087
[1-[3-methoxy-2-(thietan-3-yloxy)phenyl]cyclobutyl]methanamine
CID 117448428
2-[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-methylpyrrolidine
CID 117469494
[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine
CID 115004761
1-[2-(1-methylpiperidin-4-yl)oxyphenyl]cyclopentan-1-amine
CID 117438963
[1-[2-(oxan-4-yloxy)phenyl]cyclobutyl]methanamine
CID 117408023
[1-(3-chloro-2-methoxyphenyl)cyclobutyl]methanamine
CID 131255085
N-[[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]hydroxylamine
CID 117420155

Frequently Asked Questions

What is the IUPAC name of [1-[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]cyclobutyl]methanamine?
The IUPAC name of [1-[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]cyclobutyl]methanamine (CID 117489833) is [1-[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]cyclobutyl]methanamine is COc1c(OC2CCN(C)CC2)cccc1C1(CN)CCC1.
What is the InChIKey of [1-[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]cyclobutyl]methanamine?
The InChIKey is GQLQTSPJXAGOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-20-11-7-14(8-12-20)22-16-6-3-5-15(17(16)21-2)18(13-19)9-4-10-18/h3,5-6,14H,4,7-13,19H2,1-2H3.
What are the key properties of [1-[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]cyclobutyl]methanamine?
[1-[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]cyclobutyl]methanamine 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-[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]cyclobutyl]methanamine is sourced from PubChem (CID 117489833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).