4-(2,3-dihydro-1H-inden-2-ylamino)-2-[(4-methylpiperidin-1-yl)methyl]oxolan-3-ol

C20H30N2O2 — CID 162799447

IUPAC4-(2,3-dihydro-1H-inden-2-ylamino)-2-[(4-methylpiperidin-1-yl)methyl]oxolan-3-ol
SMILESCC1CCN(CC2OCC(NC3Cc4ccccc4C3)C2O)CC1
InChIInChI=1S/C20H30N2O2/c1-14-6-8-22(9-7-14)12-19-20(23)18(13-24-19)21-17-10-15-4-2-3-5-16(15)11-17/h2-5,14,17-21,23H,6-13H2,1H3
InChIKeyLGDTZNAAAMCHRC-UHFFFAOYSA-N
MW330.47 g/mol
LogP1.60
Rot. Bonds4

About 4-(2,3-dihydro-1H-inden-2-ylamino)-2-[(4-methylpiperidin-1-yl)methyl]oxolan-3-ol

4-(2,3-dihydro-1H-inden-2-ylamino)-2-[(4-methylpiperidin-1-yl)methyl]oxolan-3-ol (PubChem CID 162799447) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-2-ylamino)-2-[(4-methylpiperidin-1-yl)methyl]oxolan-3-ol.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-2-ylamino)-2-[(4-methylpiperidin-1-yl)methyl]oxolan-3-ol
PubChem CID162799447
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name4-(2,3-dihydro-1H-inden-2-ylamino)-2-[(4-methylpiperidin-1-yl)methyl]oxolan-3-ol
SMILESCC1CCN(CC2OCC(NC3Cc4ccccc4C3)C2O)CC1
InChIInChI=1S/C20H30N2O2/c1-14-6-8-22(9-7-14)12-19-20(23)18(13-24-19)21-17-10-15-4-2-3-5-16(15)11-17/h2-5,14,17-21,23H,6-13H2,1H3
InChIKeyLGDTZNAAAMCHRC-UHFFFAOYSA-N
XLogP1.60
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-2-ylamino)-2-[(4-methylpiperidin-1-yl)methyl]oxolan-3-ol?
The IUPAC name of 4-(2,3-dihydro-1H-inden-2-ylamino)-2-[(4-methylpiperidin-1-yl)methyl]oxolan-3-ol (CID 162799447) is 4-(2,3-dihydro-1H-inden-2-ylamino)-2-[(4-methylpiperidin-1-yl)methyl]oxolan-3-ol.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-2-ylamino)-2-[(4-methylpiperidin-1-yl)methyl]oxolan-3-ol?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-2-ylamino)-2-[(4-methylpiperidin-1-yl)methyl]oxolan-3-ol is CC1CCN(CC2OCC(NC3Cc4ccccc4C3)C2O)CC1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-2-ylamino)-2-[(4-methylpiperidin-1-yl)methyl]oxolan-3-ol?
The InChIKey is LGDTZNAAAMCHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-14-6-8-22(9-7-14)12-19-20(23)18(13-24-19)21-17-10-15-4-2-3-5-16(15)11-17/h2-5,14,17-21,23H,6-13H2,1H3.
What are the key properties of 4-(2,3-dihydro-1H-inden-2-ylamino)-2-[(4-methylpiperidin-1-yl)methyl]oxolan-3-ol?
4-(2,3-dihydro-1H-inden-2-ylamino)-2-[(4-methylpiperidin-1-yl)methyl]oxolan-3-ol has a molecular weight of 330.47 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-2-ylamino)-2-[(4-methylpiperidin-1-yl)methyl]oxolan-3-ol is sourced from PubChem (CID 162799447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).