[3-ethyl-1-(3-methoxy-4-methylpiperidin-1-yl)cyclopentyl]methanamine

C15H30N2O — CID 102964836

IUPAC[3-ethyl-1-(3-methoxy-4-methylpiperidin-1-yl)cyclopentyl]methanamine
SMILESCCC1CCC(CN)(N2CCC(C)C(OC)C2)C1
InChIInChI=1S/C15H30N2O/c1-4-13-5-7-15(9-13,11-16)17-8-6-12(2)14(10-17)18-3/h12-14H,4-11,16H2,1-3H3
InChIKeyHPQJSFRGAPQIOI-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.25
Rot. Bonds4

About [3-ethyl-1-(3-methoxy-4-methylpiperidin-1-yl)cyclopentyl]methanamine

[3-ethyl-1-(3-methoxy-4-methylpiperidin-1-yl)cyclopentyl]methanamine (PubChem CID 102964836) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is [3-ethyl-1-(3-methoxy-4-methylpiperidin-1-yl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[3-ethyl-1-(3-methoxy-4-methylpiperidin-1-yl)cyclopentyl]methanamine
PubChem CID102964836
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name[3-ethyl-1-(3-methoxy-4-methylpiperidin-1-yl)cyclopentyl]methanamine
SMILESCCC1CCC(CN)(N2CCC(C)C(OC)C2)C1
InChIInChI=1S/C15H30N2O/c1-4-13-5-7-15(9-13,11-16)17-8-6-12(2)14(10-17)18-3/h12-14H,4-11,16H2,1-3H3
InChIKeyHPQJSFRGAPQIOI-UHFFFAOYSA-N
XLogP2.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-ethyl-1-(3-methoxy-4-methylpiperidin-1-yl)cyclopentyl]methanamine?
The IUPAC name of [3-ethyl-1-(3-methoxy-4-methylpiperidin-1-yl)cyclopentyl]methanamine (CID 102964836) is [3-ethyl-1-(3-methoxy-4-methylpiperidin-1-yl)cyclopentyl]methanamine.
What is the SMILES notation for [3-ethyl-1-(3-methoxy-4-methylpiperidin-1-yl)cyclopentyl]methanamine?
The canonical SMILES for [3-ethyl-1-(3-methoxy-4-methylpiperidin-1-yl)cyclopentyl]methanamine is CCC1CCC(CN)(N2CCC(C)C(OC)C2)C1.
What is the InChIKey of [3-ethyl-1-(3-methoxy-4-methylpiperidin-1-yl)cyclopentyl]methanamine?
The InChIKey is HPQJSFRGAPQIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-4-13-5-7-15(9-13,11-16)17-8-6-12(2)14(10-17)18-3/h12-14H,4-11,16H2,1-3H3.
What are the key properties of [3-ethyl-1-(3-methoxy-4-methylpiperidin-1-yl)cyclopentyl]methanamine?
[3-ethyl-1-(3-methoxy-4-methylpiperidin-1-yl)cyclopentyl]methanamine has a molecular weight of 254.42 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-1-(3-methoxy-4-methylpiperidin-1-yl)cyclopentyl]methanamine is sourced from PubChem (CID 102964836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).