1-ethyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidin-4-amine

C26H43N3O — CID 29255338

IUPAC1-ethyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidin-4-amine
SMILESCCN1CCC(N(CC2CCN(Cc3ccccc3C)CC2)C[C@H]2CCCO2)CC1
InChIInChI=1S/C26H43N3O/c1-3-27-16-12-25(13-17-27)29(21-26-9-6-18-30-26)19-23-10-14-28(15-11-23)20-24-8-5-4-7-22(24)2/h4-5,7-8,23,25-26H,3,6,9-21H2,1-2H3/t26-/m1/s1
InChIKeyBCCRVAFQAMCAQG-AREMUKBSSA-N
MW413.65 g/mol
LogP4.17
Rot. Bonds8

About 1-ethyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidin-4-amine

1-ethyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidin-4-amine (PubChem CID 29255338) has the molecular formula C26H43N3O and a molecular weight of 413.65 g/mol. Its IUPAC name is 1-ethyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-ethyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidin-4-amine
PubChem CID29255338
Molecular FormulaC26H43N3O
Molecular Weight413.65 g/mol
Exact Mass413.34
IUPAC Name1-ethyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidin-4-amine
SMILESCCN1CCC(N(CC2CCN(Cc3ccccc3C)CC2)C[C@H]2CCCO2)CC1
InChIInChI=1S/C26H43N3O/c1-3-27-16-12-25(13-17-27)29(21-26-9-6-18-30-26)19-23-10-14-28(15-11-23)20-24-8-5-4-7-22(24)2/h4-5,7-8,23,25-26H,3,6,9-21H2,1-2H3/t26-/m1/s1
InChIKeyBCCRVAFQAMCAQG-AREMUKBSSA-N
XLogP4.17
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.65
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidin-4-amine?
The IUPAC name of 1-ethyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidin-4-amine (CID 29255338) is 1-ethyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-ethyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidin-4-amine?
The canonical SMILES for 1-ethyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidin-4-amine is CCN1CCC(N(CC2CCN(Cc3ccccc3C)CC2)C[C@H]2CCCO2)CC1.
What is the InChIKey of 1-ethyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidin-4-amine?
The InChIKey is BCCRVAFQAMCAQG-AREMUKBSSA-N. The full InChI is InChI=1S/C26H43N3O/c1-3-27-16-12-25(13-17-27)29(21-26-9-6-18-30-26)19-23-10-14-28(15-11-23)20-24-8-5-4-7-22(24)2/h4-5,7-8,23,25-26H,3,6,9-21H2,1-2H3/t26-/m1/s1.
What are the key properties of 1-ethyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidin-4-amine?
1-ethyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidin-4-amine has a molecular weight of 413.65 g/mol, XLogP of 4.17, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 29255338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).