[4-methoxy-1-(4-propan-2-ylcycloheptyl)piperidin-2-yl]methanamine

C17H34N2O — CID 115963117

IUPAC[4-methoxy-1-(4-propan-2-ylcycloheptyl)piperidin-2-yl]methanamine
SMILESCOC1CCN(C2CCCC(C(C)C)CC2)C(CN)C1
InChIInChI=1S/C17H34N2O/c1-13(2)14-5-4-6-15(8-7-14)19-10-9-17(20-3)11-16(19)12-18/h13-17H,4-12,18H2,1-3H3
InChIKeyOCWMQKNJDRJPHY-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.03
Rot. Bonds4

About [4-methoxy-1-(4-propan-2-ylcycloheptyl)piperidin-2-yl]methanamine

[4-methoxy-1-(4-propan-2-ylcycloheptyl)piperidin-2-yl]methanamine (PubChem CID 115963117) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is [4-methoxy-1-(4-propan-2-ylcycloheptyl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methoxy-1-(4-propan-2-ylcycloheptyl)piperidin-2-yl]methanamine
PubChem CID115963117
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name[4-methoxy-1-(4-propan-2-ylcycloheptyl)piperidin-2-yl]methanamine
SMILESCOC1CCN(C2CCCC(C(C)C)CC2)C(CN)C1
InChIInChI=1S/C17H34N2O/c1-13(2)14-5-4-6-15(8-7-14)19-10-9-17(20-3)11-16(19)12-18/h13-17H,4-12,18H2,1-3H3
InChIKeyOCWMQKNJDRJPHY-UHFFFAOYSA-N
XLogP3.03
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-methoxy-1-(2-methylcyclopentyl)piperidin-2-yl]methanamine
CID 112622011
[1-(2,2-dimethylcyclopentyl)-4-methoxypiperidin-2-yl]methanamine
CID 112622099
[1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-methoxypiperidin-2-yl]methanamine
CID 112622061
[1-(3-propan-2-ylcyclobutyl)piperidin-2-yl]methanamine
CID 103563708
[1-(3-methoxycyclobutyl)pyrrolidin-2-yl]methanamine
CID 106823007
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methoxypiperidin-2-yl]methanamine
CID 115963785
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]sulfonylpropanoic acid
CID 112622457
(1-cycloheptyl-4-ethylpiperidin-2-yl)methanamine
CID 103351990
1-[1-(3-methoxycyclohexyl)piperidin-2-yl]propan-2-ol
CID 114338065
[4-methoxy-1-(1-methoxybutan-2-yl)piperidin-2-yl]methanamine
CID 112622134
1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethanone
CID 112622267
ethane;1-methoxy-4-propan-2-ylcyclohexane
CID 178120184

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-1-(4-propan-2-ylcycloheptyl)piperidin-2-yl]methanamine?
The IUPAC name of [4-methoxy-1-(4-propan-2-ylcycloheptyl)piperidin-2-yl]methanamine (CID 115963117) is [4-methoxy-1-(4-propan-2-ylcycloheptyl)piperidin-2-yl]methanamine.
What is the SMILES notation for [4-methoxy-1-(4-propan-2-ylcycloheptyl)piperidin-2-yl]methanamine?
The canonical SMILES for [4-methoxy-1-(4-propan-2-ylcycloheptyl)piperidin-2-yl]methanamine is COC1CCN(C2CCCC(C(C)C)CC2)C(CN)C1.
What is the InChIKey of [4-methoxy-1-(4-propan-2-ylcycloheptyl)piperidin-2-yl]methanamine?
The InChIKey is OCWMQKNJDRJPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-13(2)14-5-4-6-15(8-7-14)19-10-9-17(20-3)11-16(19)12-18/h13-17H,4-12,18H2,1-3H3.
What are the key properties of [4-methoxy-1-(4-propan-2-ylcycloheptyl)piperidin-2-yl]methanamine?
[4-methoxy-1-(4-propan-2-ylcycloheptyl)piperidin-2-yl]methanamine has a molecular weight of 282.47 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-1-(4-propan-2-ylcycloheptyl)piperidin-2-yl]methanamine is sourced from PubChem (CID 115963117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).