2-cycloheptyl-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine

C16H32N2O — CID 107391216

IUPAC2-cycloheptyl-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
SMILESCOC1(C)CCCN(C(CN)C2CCCCCC2)C1
InChIInChI=1S/C16H32N2O/c1-16(19-2)10-7-11-18(13-16)15(12-17)14-8-5-3-4-6-9-14/h14-15H,3-13,17H2,1-2H3
InChIKeyJKXYOJAXZWAKPQ-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.79
Rot. Bonds4

About 2-cycloheptyl-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine

2-cycloheptyl-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine (PubChem CID 107391216) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-cycloheptyl-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-cycloheptyl-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
PubChem CID107391216
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name2-cycloheptyl-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
SMILESCOC1(C)CCCN(C(CN)C2CCCCCC2)C1
InChIInChI=1S/C16H32N2O/c1-16(19-2)10-7-11-18(13-16)15(12-17)14-8-5-3-4-6-9-14/h14-15H,3-13,17H2,1-2H3
InChIKeyJKXYOJAXZWAKPQ-UHFFFAOYSA-N
XLogP2.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxy-3-methylpiperidin-1-yl)-2-(5-methyloxolan-2-yl)ethanamine
CID 107391237
2-cyclopentyl-2-pyrrolidin-1-ylethanamine
CID 62071576
2-cycloheptyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanamine
CID 102743218
2-cyclopentyl-2-(2,2-dimethylmorpholin-4-yl)ethanamine
CID 62070004
2-(3,5-dimethylphenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107391351
2-(5-chlorothiophen-2-yl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107390745
2-(3-methoxy-3-methylpiperidin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 107390770
2-(4-bromophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107390778
4-amino-3-(3-methoxy-3-methylpiperidin-1-yl)-N-methylbutanamide
CID 107391498
2-(3-methoxy-3-methylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanamine
CID 107390754
1-cyclohexyl-N-ethyl-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107391751
2-cyclopentyl-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103531635

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-cycloheptyl-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine (CID 107391216) is 2-cycloheptyl-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-cycloheptyl-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-cycloheptyl-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine is COC1(C)CCCN(C(CN)C2CCCCCC2)C1.
What is the InChIKey of 2-cycloheptyl-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine?
The InChIKey is JKXYOJAXZWAKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-16(19-2)10-7-11-18(13-16)15(12-17)14-8-5-3-4-6-9-14/h14-15H,3-13,17H2,1-2H3.
What are the key properties of 2-cycloheptyl-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine?
2-cycloheptyl-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine has a molecular weight of 268.44 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 107391216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).