[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]piperidin-4-yl]methanol

C20H30N2O — CID 45244617

IUPAC[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(C2CCCN(C3Cc4ccccc4C3)C2)CC1
InChIInChI=1S/C20H30N2O/c23-15-16-7-10-21(11-8-16)19-6-3-9-22(14-19)20-12-17-4-1-2-5-18(17)13-20/h1-2,4-5,16,19-20,23H,3,6-15H2
InChIKeyHBXSXTKKGHRKMA-UHFFFAOYSA-N
MW314.47 g/mol
LogP2.32
Rot. Bonds3

About [1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]piperidin-4-yl]methanol

[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]piperidin-4-yl]methanol (PubChem CID 45244617) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is [1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]piperidin-4-yl]methanol
PubChem CID45244617
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(C2CCCN(C3Cc4ccccc4C3)C2)CC1
InChIInChI=1S/C20H30N2O/c23-15-16-7-10-21(11-8-16)19-6-3-9-22(14-19)20-12-17-4-1-2-5-18(17)13-20/h1-2,4-5,16,19-20,23H,3,6-15H2
InChIKeyHBXSXTKKGHRKMA-UHFFFAOYSA-N
XLogP2.32
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-{[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]amino}-2,2-dimethylpropan-1-ol
CID 23723651
2-[4-(3-Phenyl-indan-1-yl)-piperazin-1-yl]-ethanol
CID 15115475
2-[1-(1-Isopropyl-4-piperidinyl)-4-(3-phenylpropyl)-2-piperazinyl]ethanol
CID 16192493
4-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]butan-1-ol;dihydrochloride
CID 49861243
2-[1-Cyclopentyl-4-(2,2-diphenylethyl)-2-piperazinyl]ethanol
CID 16192514
1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-ol
CID 13010316
(1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl)methanol
CID 24071864
1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-ol
CID 30982880
{(3R*,4R*)-1-(2,3-dihydro-1H-inden-2-yl)-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl}methanol
CID 72853643
1-{[(3R*,4R*)-1-(2,3-dihydro-1H-inden-2-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl}piperidin-4-ol
CID 72856059
((3R*,4R*)-1-(2,3-dihydro-1H-inden-2-yl)-4-{[4-(hydroxymethyl)piperidin-1-yl]methyl}pyrrolidin-3-yl)methanol
CID 72860766
(1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl)methanol
CID 92130772

Frequently Asked Questions

What is the IUPAC name of [1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]piperidin-4-yl]methanol (CID 45244617) is [1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]piperidin-4-yl]methanol is OCC1CCN(C2CCCN(C3Cc4ccccc4C3)C2)CC1.
What is the InChIKey of [1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]piperidin-4-yl]methanol?
The InChIKey is HBXSXTKKGHRKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c23-15-16-7-10-21(11-8-16)19-6-3-9-22(14-19)20-12-17-4-1-2-5-18(17)13-20/h1-2,4-5,16,19-20,23H,3,6-15H2.
What are the key properties of [1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]piperidin-4-yl]methanol?
[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]piperidin-4-yl]methanol has a molecular weight of 314.47 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 45244617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).