3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]amino]-2,2-dimethylpropan-1-ol

C19H30N2O — CID 23723651

IUPAC3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]amino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNC1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C19H30N2O/c1-19(2,14-22)13-20-17-8-5-9-21(12-17)18-10-15-6-3-4-7-16(15)11-18/h3-4,6-7,17-18,20,22H,5,8-14H2,1-2H3
InChIKeyRPLWIBHDMPLLFI-UHFFFAOYSA-N
MW302.46 g/mol
LogP2.23
Rot. Bonds5

About 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]amino]-2,2-dimethylpropan-1-ol

3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]amino]-2,2-dimethylpropan-1-ol (PubChem CID 23723651) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]amino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]amino]-2,2-dimethylpropan-1-ol
PubChem CID23723651
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]amino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNC1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C19H30N2O/c1-19(2,14-22)13-20-17-8-5-9-21(12-17)18-10-15-6-3-4-7-16(15)11-18/h3-4,6-7,17-18,20,22H,5,8-14H2,1-2H3
InChIKeyRPLWIBHDMPLLFI-UHFFFAOYSA-N
XLogP2.23
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]amino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]amino]-2,2-dimethylpropan-1-ol (CID 23723651) is 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]amino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]amino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]amino]-2,2-dimethylpropan-1-ol is CC(C)(CO)CNC1CCCN(C2Cc3ccccc3C2)C1.
What is the InChIKey of 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]amino]-2,2-dimethylpropan-1-ol?
The InChIKey is RPLWIBHDMPLLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-19(2,14-22)13-20-17-8-5-9-21(12-17)18-10-15-6-3-4-7-16(15)11-18/h3-4,6-7,17-18,20,22H,5,8-14H2,1-2H3.
What are the key properties of 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]amino]-2,2-dimethylpropan-1-ol?
3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]amino]-2,2-dimethylpropan-1-ol has a molecular weight of 302.46 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]amino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 23723651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).