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

C20H30N2O2 — CID 72856059

IUPAC1-[[(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]piperidin-4-ol
SMILESOC[C@H]1CN(C2Cc3ccccc3C2)C[C@H]1CN1CCC(O)CC1
InChIInChI=1S/C20H30N2O2/c23-14-18-13-22(19-9-15-3-1-2-4-16(15)10-19)12-17(18)11-21-7-5-20(24)6-8-21/h1-4,17-20,23-24H,5-14H2/t17-,18-/m1/s1
InChIKeyFLCMSOZEMNUBAC-QZTJIDSGSA-N
MW330.47 g/mol
LogP1.15
Rot. Bonds4

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

1-[[(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]piperidin-4-ol (PubChem CID 72856059) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 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-ol.

Molecular Properties

Compound Name1-[[(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]piperidin-4-ol
PubChem CID72856059
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name1-[[(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]piperidin-4-ol
SMILESOC[C@H]1CN(C2Cc3ccccc3C2)C[C@H]1CN1CCC(O)CC1
InChIInChI=1S/C20H30N2O2/c23-14-18-13-22(19-9-15-3-1-2-4-16(15)10-19)12-17(18)11-21-7-5-20(24)6-8-21/h1-4,17-20,23-24H,5-14H2/t17-,18-/m1/s1
InChIKeyFLCMSOZEMNUBAC-QZTJIDSGSA-N
XLogP1.15
TPSA46.94 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 ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
((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
rac-(3S,4S)-1-(2,3-dihydro-1H-inden-2-yl)-4-(dimethylamino)pyrrolidin-3-ol
CID 124214315
Sdccgsbi-0116917.P001
CID 45244617
(3S*,4S*)-1-(2,3-dihydro-1H-inden-2-yl)-4-(4-morpholinyl)-3-pyrrolidinol
CID 30733488
((3R*,4R*)-1-(2,3-dihydro-1H-inden-2-yl)-4-{[[2-(dimethylamino)ethyl](methyl)amino]methyl}pyrrolidin-3-yl)methanol
CID 70732132
2-[(2S)-1-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]pyrrolidin-2-yl]ethanol
CID 53878513
1-(9H-fluoren-9-ylmethyl)-4-(hydroxymethyl)pyrrolidin-3-ol
CID 67186252

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-ol?
The IUPAC name of 1-[[(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]piperidin-4-ol (CID 72856059) is 1-[[(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]piperidin-4-ol.
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-ol?
The canonical SMILES for 1-[[(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]piperidin-4-ol is OC[C@H]1CN(C2Cc3ccccc3C2)C[C@H]1CN1CCC(O)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-ol?
The InChIKey is FLCMSOZEMNUBAC-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H30N2O2/c23-14-18-13-22(19-9-15-3-1-2-4-16(15)10-19)12-17(18)11-21-7-5-20(24)6-8-21/h1-4,17-20,23-24H,5-14H2/t17-,18-/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-ol?
1-[[(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]piperidin-4-ol has a molecular weight of 330.47 g/mol, XLogP of 1.15, 4 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-ol is sourced from PubChem (CID 72856059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).