[3-methoxy-1-(4-propan-2-ylpiperidin-1-yl)cyclobutyl]methanamine

C14H28N2O — CID 106822368

IUPAC[3-methoxy-1-(4-propan-2-ylpiperidin-1-yl)cyclobutyl]methanamine
SMILESCOC1CC(CN)(N2CCC(C(C)C)CC2)C1
InChIInChI=1S/C14H28N2O/c1-11(2)12-4-6-16(7-5-12)14(10-15)8-13(9-14)17-3/h11-13H,4-10,15H2,1-3H3
InChIKeyVVQYZWAXHIWYIJ-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.86
Rot. Bonds4

About [3-methoxy-1-(4-propan-2-ylpiperidin-1-yl)cyclobutyl]methanamine

[3-methoxy-1-(4-propan-2-ylpiperidin-1-yl)cyclobutyl]methanamine (PubChem CID 106822368) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is [3-methoxy-1-(4-propan-2-ylpiperidin-1-yl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[3-methoxy-1-(4-propan-2-ylpiperidin-1-yl)cyclobutyl]methanamine
PubChem CID106822368
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name[3-methoxy-1-(4-propan-2-ylpiperidin-1-yl)cyclobutyl]methanamine
SMILESCOC1CC(CN)(N2CCC(C(C)C)CC2)C1
InChIInChI=1S/C14H28N2O/c1-11(2)12-4-6-16(7-5-12)14(10-15)8-13(9-14)17-3/h11-13H,4-10,15H2,1-3H3
InChIKeyVVQYZWAXHIWYIJ-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3,5-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)cyclohexyl]methanamine
CID 103494626
[1-(4-ethylpiperazin-1-yl)-3-methoxycyclohexyl]methanamine
CID 106872129
[1-(3-ethylpyrrolidin-1-yl)-3-methoxycyclohexyl]methanamine
CID 106872732
(3-methoxy-1-thiomorpholin-4-ylcyclohexyl)methanamine
CID 106872149
[1-(2,6-dimethylmorpholin-4-yl)-3-methoxycyclobutyl]methanamine
CID 106821672
[1-methyl-4-(4-propan-2-ylpiperidin-1-yl)azepan-4-yl]methanamine
CID 103494627
[1-(4-propan-2-ylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine
CID 103494802
[1-(2-ethylpiperidin-1-yl)-3-methoxycyclobutyl]methanamine
CID 106821751
[1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propan-2-ylcyclobutyl]methanamine
CID 103563040
[1-(4,4-diethylpiperidin-1-yl)-4-propan-2-ylcyclohexyl]methanamine
CID 63467046
[1-(4-ethylpiperazin-1-yl)-3-propan-2-ylcyclohexyl]methanamine
CID 107448927
[4-(3-methoxypyrrolidin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine
CID 103531579

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-1-(4-propan-2-ylpiperidin-1-yl)cyclobutyl]methanamine?
The IUPAC name of [3-methoxy-1-(4-propan-2-ylpiperidin-1-yl)cyclobutyl]methanamine (CID 106822368) is [3-methoxy-1-(4-propan-2-ylpiperidin-1-yl)cyclobutyl]methanamine.
What is the SMILES notation for [3-methoxy-1-(4-propan-2-ylpiperidin-1-yl)cyclobutyl]methanamine?
The canonical SMILES for [3-methoxy-1-(4-propan-2-ylpiperidin-1-yl)cyclobutyl]methanamine is COC1CC(CN)(N2CCC(C(C)C)CC2)C1.
What is the InChIKey of [3-methoxy-1-(4-propan-2-ylpiperidin-1-yl)cyclobutyl]methanamine?
The InChIKey is VVQYZWAXHIWYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11(2)12-4-6-16(7-5-12)14(10-15)8-13(9-14)17-3/h11-13H,4-10,15H2,1-3H3.
What are the key properties of [3-methoxy-1-(4-propan-2-ylpiperidin-1-yl)cyclobutyl]methanamine?
[3-methoxy-1-(4-propan-2-ylpiperidin-1-yl)cyclobutyl]methanamine has a molecular weight of 240.39 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-1-(4-propan-2-ylpiperidin-1-yl)cyclobutyl]methanamine is sourced from PubChem (CID 106822368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).