2-[[[1-(2-methoxyethyl)piperidin-4-yl]methyl-(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-ol

C21H40N2O3 — CID 171442320

IUPAC2-[[[1-(2-methoxyethyl)piperidin-4-yl]methyl-(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-ol
SMILESCOCCN1CCC(CN(CC2CCCO2)CC2CCCCC2O)CC1
InChIInChI=1S/C21H40N2O3/c1-25-14-12-22-10-8-18(9-11-22)15-23(17-20-6-4-13-26-20)16-19-5-2-3-7-21(19)24/h18-21,24H,2-17H2,1H3
InChIKeyLHLXUYHOMCTNBC-UHFFFAOYSA-N
MW368.56 g/mol
LogP2.38
Rot. Bonds9

About 2-[[[1-(2-methoxyethyl)piperidin-4-yl]methyl-(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-ol

2-[[[1-(2-methoxyethyl)piperidin-4-yl]methyl-(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-ol (PubChem CID 171442320) has the molecular formula C21H40N2O3 and a molecular weight of 368.56 g/mol. Its IUPAC name is 2-[[[1-(2-methoxyethyl)piperidin-4-yl]methyl-(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[[1-(2-methoxyethyl)piperidin-4-yl]methyl-(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-ol
PubChem CID171442320
Molecular FormulaC21H40N2O3
Molecular Weight368.56 g/mol
Exact Mass368.30
IUPAC Name2-[[[1-(2-methoxyethyl)piperidin-4-yl]methyl-(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-ol
SMILESCOCCN1CCC(CN(CC2CCCO2)CC2CCCCC2O)CC1
InChIInChI=1S/C21H40N2O3/c1-25-14-12-22-10-8-18(9-11-22)15-23(17-20-6-4-13-26-20)16-19-5-2-3-7-21(19)24/h18-21,24H,2-17H2,1H3
InChIKeyLHLXUYHOMCTNBC-UHFFFAOYSA-N
XLogP2.38
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.56
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[[1-(2-methoxyethyl)piperidin-4-yl]methyl-(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(2-methoxyethyl)piperidin-4-yl]methyl-(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[[1-(2-methoxyethyl)piperidin-4-yl]methyl-(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-ol (CID 171442320) is 2-[[[1-(2-methoxyethyl)piperidin-4-yl]methyl-(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[[1-(2-methoxyethyl)piperidin-4-yl]methyl-(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[[1-(2-methoxyethyl)piperidin-4-yl]methyl-(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-ol is COCCN1CCC(CN(CC2CCCO2)CC2CCCCC2O)CC1.
What is the InChIKey of 2-[[[1-(2-methoxyethyl)piperidin-4-yl]methyl-(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is LHLXUYHOMCTNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2O3/c1-25-14-12-22-10-8-18(9-11-22)15-23(17-20-6-4-13-26-20)16-19-5-2-3-7-21(19)24/h18-21,24H,2-17H2,1H3.
What are the key properties of 2-[[[1-(2-methoxyethyl)piperidin-4-yl]methyl-(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-ol?
2-[[[1-(2-methoxyethyl)piperidin-4-yl]methyl-(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 368.56 g/mol, XLogP of 2.38, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-(2-methoxyethyl)piperidin-4-yl]methyl-(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 171442320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).