N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)oxan-4-amine

C23H36N2O2 — CID 45244656

IUPACN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)oxan-4-amine
SMILESCOCCN(CC1CCCN(C2Cc3ccccc3C2)C1)C1CCOCC1
InChIInChI=1S/C23H36N2O2/c1-26-14-11-25(22-8-12-27-13-9-22)18-19-5-4-10-24(17-19)23-15-20-6-2-3-7-21(20)16-23/h2-3,6-7,19,22-23H,4-5,8-18H2,1H3
InChIKeyWUHGZBFLZGLEEF-UHFFFAOYSA-N
MW372.55 g/mol
LogP2.99
Rot. Bonds7

About N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)oxan-4-amine

N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)oxan-4-amine (PubChem CID 45244656) has the molecular formula C23H36N2O2 and a molecular weight of 372.55 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)oxan-4-amine.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)oxan-4-amine
PubChem CID45244656
Molecular FormulaC23H36N2O2
Molecular Weight372.55 g/mol
Exact Mass372.28
IUPAC NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)oxan-4-amine
SMILESCOCCN(CC1CCCN(C2Cc3ccccc3C2)C1)C1CCOCC1
InChIInChI=1S/C23H36N2O2/c1-26-14-11-25(22-8-12-27-13-9-22)18-19-5-4-10-24(17-19)23-15-20-6-2-3-7-21(20)16-23/h2-3,6-7,19,22-23H,4-5,8-18H2,1H3
InChIKeyWUHGZBFLZGLEEF-UHFFFAOYSA-N
XLogP2.99
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.55
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)oxan-4-amine?
The IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)oxan-4-amine (CID 45244656) is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)oxan-4-amine.
What is the SMILES notation for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)oxan-4-amine?
The canonical SMILES for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)oxan-4-amine is COCCN(CC1CCCN(C2Cc3ccccc3C2)C1)C1CCOCC1.
What is the InChIKey of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)oxan-4-amine?
The InChIKey is WUHGZBFLZGLEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O2/c1-26-14-11-25(22-8-12-27-13-9-22)18-19-5-4-10-24(17-19)23-15-20-6-2-3-7-21(20)16-23/h2-3,6-7,19,22-23H,4-5,8-18H2,1H3.
What are the key properties of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)oxan-4-amine?
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)oxan-4-amine has a molecular weight of 372.55 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)oxan-4-amine is sourced from PubChem (CID 45244656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).