1-cyclopentyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)methanamine

C20H38N2O2 — CID 45247816

IUPAC1-cyclopentyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)methanamine
SMILESCOCCN1CCC(CN(CC2CCCC2)CC2CCCO2)CC1
InChIInChI=1S/C20H38N2O2/c1-23-14-12-21-10-8-19(9-11-21)16-22(15-18-5-2-3-6-18)17-20-7-4-13-24-20/h18-20H,2-17H2,1H3
InChIKeyOGJNZDOAXRSQEU-UHFFFAOYSA-N
MW338.54 g/mol
LogP3.02
Rot. Bonds9

About 1-cyclopentyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)methanamine

1-cyclopentyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)methanamine (PubChem CID 45247816) has the molecular formula C20H38N2O2 and a molecular weight of 338.54 g/mol. Its IUPAC name is 1-cyclopentyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)methanamine
PubChem CID45247816
Molecular FormulaC20H38N2O2
Molecular Weight338.54 g/mol
Exact Mass338.29
IUPAC Name1-cyclopentyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)methanamine
SMILESCOCCN1CCC(CN(CC2CCCC2)CC2CCCO2)CC1
InChIInChI=1S/C20H38N2O2/c1-23-14-12-21-10-8-19(9-11-21)16-22(15-18-5-2-3-6-18)17-20-7-4-13-24-20/h18-20H,2-17H2,1H3
InChIKeyOGJNZDOAXRSQEU-UHFFFAOYSA-N
XLogP3.02
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)methanamine?
The IUPAC name of 1-cyclopentyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)methanamine (CID 45247816) is 1-cyclopentyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)methanamine.
What is the SMILES notation for 1-cyclopentyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)methanamine?
The canonical SMILES for 1-cyclopentyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)methanamine is COCCN1CCC(CN(CC2CCCC2)CC2CCCO2)CC1.
What is the InChIKey of 1-cyclopentyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)methanamine?
The InChIKey is OGJNZDOAXRSQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O2/c1-23-14-12-21-10-8-19(9-11-21)16-22(15-18-5-2-3-6-18)17-20-7-4-13-24-20/h18-20H,2-17H2,1H3.
What are the key properties of 1-cyclopentyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)methanamine?
1-cyclopentyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)methanamine has a molecular weight of 338.54 g/mol, XLogP of 3.02, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)methanamine is sourced from PubChem (CID 45247816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).