3-[2,3-dihydro-1H-inden-1-yl(piperidin-4-ylmethyl)amino]propan-1-ol

C18H28N2O — CID 119931689

IUPAC3-[2,3-dihydro-1H-inden-1-yl(piperidin-4-ylmethyl)amino]propan-1-ol
SMILESOCCCN(CC1CCNCC1)C1CCc2ccccc21
InChIInChI=1S/C18H28N2O/c21-13-3-12-20(14-15-8-10-19-11-9-15)18-7-6-16-4-1-2-5-17(16)18/h1-2,4-5,15,18-19,21H,3,6-14H2
InChIKeyGRGSMKFGDHOLQQ-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.36
Rot. Bonds6

About 3-[2,3-dihydro-1H-inden-1-yl(piperidin-4-ylmethyl)amino]propan-1-ol

3-[2,3-dihydro-1H-inden-1-yl(piperidin-4-ylmethyl)amino]propan-1-ol (PubChem CID 119931689) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-[2,3-dihydro-1H-inden-1-yl(piperidin-4-ylmethyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[2,3-dihydro-1H-inden-1-yl(piperidin-4-ylmethyl)amino]propan-1-ol
PubChem CID119931689
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name3-[2,3-dihydro-1H-inden-1-yl(piperidin-4-ylmethyl)amino]propan-1-ol
SMILESOCCCN(CC1CCNCC1)C1CCc2ccccc21
InChIInChI=1S/C18H28N2O/c21-13-3-12-20(14-15-8-10-19-11-9-15)18-7-6-16-4-1-2-5-17(16)18/h1-2,4-5,15,18-19,21H,3,6-14H2
InChIKeyGRGSMKFGDHOLQQ-UHFFFAOYSA-N
XLogP2.36
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,3-dihydro-1H-inden-1-yl(piperidin-4-ylmethyl)amino]ethanol;hydrochloride
CID 119931686
3-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]propan-1-ol
CID 111333724
N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 119929963
3-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 167833665
3-[[(3S)-oxolan-3-yl]methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-1-ol
CID 97221692
3-[2,3-dihydro-1H-inden-1-yl(3-methoxypropyl)amino]propan-1-ol
CID 111333716
2-[2,3-dihydro-1H-inden-1-yl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606505
2-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]-N-methyl-N-phenylacetamide
CID 111332362
3-[3-methoxypropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 111799443
3-[[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]methyl]-4-fluorobenzonitrile
CID 111333733
N-(piperidin-4-ylmethyl)-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 79696968
2-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]-1-(3-methylpiperidin-1-yl)ethanone
CID 111799381

Frequently Asked Questions

What is the IUPAC name of 3-[2,3-dihydro-1H-inden-1-yl(piperidin-4-ylmethyl)amino]propan-1-ol?
The IUPAC name of 3-[2,3-dihydro-1H-inden-1-yl(piperidin-4-ylmethyl)amino]propan-1-ol (CID 119931689) is 3-[2,3-dihydro-1H-inden-1-yl(piperidin-4-ylmethyl)amino]propan-1-ol.
What is the SMILES notation for 3-[2,3-dihydro-1H-inden-1-yl(piperidin-4-ylmethyl)amino]propan-1-ol?
The canonical SMILES for 3-[2,3-dihydro-1H-inden-1-yl(piperidin-4-ylmethyl)amino]propan-1-ol is OCCCN(CC1CCNCC1)C1CCc2ccccc21.
What is the InChIKey of 3-[2,3-dihydro-1H-inden-1-yl(piperidin-4-ylmethyl)amino]propan-1-ol?
The InChIKey is GRGSMKFGDHOLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c21-13-3-12-20(14-15-8-10-19-11-9-15)18-7-6-16-4-1-2-5-17(16)18/h1-2,4-5,15,18-19,21H,3,6-14H2.
What are the key properties of 3-[2,3-dihydro-1H-inden-1-yl(piperidin-4-ylmethyl)amino]propan-1-ol?
3-[2,3-dihydro-1H-inden-1-yl(piperidin-4-ylmethyl)amino]propan-1-ol has a molecular weight of 288.44 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3-dihydro-1H-inden-1-yl(piperidin-4-ylmethyl)amino]propan-1-ol is sourced from PubChem (CID 119931689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).