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

C20H31N3O — CID 72853643

IUPAC[(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol
SMILESCN1CCN(C[C@@H]2CN(C3Cc4ccccc4C3)C[C@@H]2CO)CC1
InChIInChI=1S/C20H31N3O/c1-21-6-8-22(9-7-21)12-18-13-23(14-19(18)15-24)20-10-16-4-2-3-5-17(16)11-20/h2-5,18-20,24H,6-15H2,1H3/t18-,19-/m1/s1
InChIKeyVLYFBMBCWRUMJK-RTBURBONSA-N
MW329.49 g/mol
LogP0.94
Rot. Bonds4

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

[(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol (PubChem CID 72853643) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is [(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol
PubChem CID72853643
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name[(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol
SMILESCN1CCN(C[C@@H]2CN(C3Cc4ccccc4C3)C[C@@H]2CO)CC1
InChIInChI=1S/C20H31N3O/c1-21-6-8-22(9-7-21)12-18-13-23(14-19(18)15-24)20-10-16-4-2-3-5-17(16)11-20/h2-5,18-20,24H,6-15H2,1H3/t18-,19-/m1/s1
InChIKeyVLYFBMBCWRUMJK-RTBURBONSA-N
XLogP0.94
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-[1-Isopropyl-4-(3-phenylpropyl)-2-piperazinyl]ethanol
CID 23723392
3-{[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]amino}-2,2-dimethylpropan-1-ol
CID 23723651
2-[4-(Cyclopropylmethyl)-1-(2-methylbenzyl)-2-piperazinyl]ethanol
CID 23723706
2-[4-Isobutyl-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 23723509
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
2-[4-(1-Ethylpropyl)-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 16191832
2-[1-(3-Methylbutyl)-4-(3-phenylpropyl)-2-piperazinyl]ethanol
CID 23723786
(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
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

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol (CID 72853643) is [(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol is CN1CCN(C[C@@H]2CN(C3Cc4ccccc4C3)C[C@@H]2CO)CC1.
What is the InChIKey of [(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol?
The InChIKey is VLYFBMBCWRUMJK-RTBURBONSA-N. The full InChI is InChI=1S/C20H31N3O/c1-21-6-8-22(9-7-21)12-18-13-23(14-19(18)15-24)20-10-16-4-2-3-5-17(16)11-20/h2-5,18-20,24H,6-15H2,1H3/t18-,19-/m1/s1.
What are the key properties of [(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol?
[(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol has a molecular weight of 329.49 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 72853643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).