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

C21H32N2O2 — CID 72860766

IUPAC[1-[[(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]methanol
SMILESOCC1CCN(C[C@@H]2CN(C3Cc4ccccc4C3)C[C@@H]2CO)CC1
InChIInChI=1S/C21H32N2O2/c24-14-16-5-7-22(8-6-16)11-19-12-23(13-20(19)15-25)21-9-17-3-1-2-4-18(17)10-21/h1-4,16,19-21,24-25H,5-15H2/t19-,20-/m1/s1
InChIKeyYSPMOAZJJVXORJ-WOJBJXKFSA-N
MW344.50 g/mol
LogP1.40
Rot. Bonds5

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

[1-[[(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]methanol (PubChem CID 72860766) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is [1-[[(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[[(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]methanol
PubChem CID72860766
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name[1-[[(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]methanol
SMILESOCC1CCN(C[C@@H]2CN(C3Cc4ccccc4C3)C[C@@H]2CO)CC1
InChIInChI=1S/C21H32N2O2/c24-14-16-5-7-22(8-6-16)11-19-12-23(13-20(19)15-25)21-9-17-3-1-2-4-18(17)10-21/h1-4,16,19-21,24-25H,5-15H2/t19-,20-/m1/s1
InChIKeyYSPMOAZJJVXORJ-WOJBJXKFSA-N
XLogP1.40
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-[[(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]methanol with MolForge

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Related Compounds

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
(1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl)methanol
CID 92130772
[(3R*,4R*)-1-(2-ethylbenzyl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 70781332
rac-(3S,4S)-1-(2,3-dihydro-1H-inden-2-yl)-4-(dimethylamino)pyrrolidin-3-ol
CID 124214315
[(2R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-2-yl]methanol
CID 124892219
Sdccgsbi-0116917.P001
CID 45244617
(3S*,4S*)-1-(2,3-dihydro-1H-inden-2-yl)-4-(4-morpholinyl)-3-pyrrolidinol
CID 30733488
(cyclopentylmethyl){[1-(2,3-dihydro-1H-inden-2-yl)-3-piperidinyl]methyl}(2-methoxyethyl)amine
CID 45187402

Frequently Asked Questions

What is the IUPAC name of [1-[[(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[[(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]methanol (CID 72860766) is [1-[[(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[[(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[[(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]methanol is OCC1CCN(C[C@@H]2CN(C3Cc4ccccc4C3)C[C@@H]2CO)CC1.
What is the InChIKey of [1-[[(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]methanol?
The InChIKey is YSPMOAZJJVXORJ-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H32N2O2/c24-14-16-5-7-22(8-6-16)11-19-12-23(13-20(19)15-25)21-9-17-3-1-2-4-18(17)10-21/h1-4,16,19-21,24-25H,5-15H2/t19-,20-/m1/s1.
What are the key properties of [1-[[(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]methanol?
[1-[[(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]methanol has a molecular weight of 344.50 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 72860766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).