(3S,4R)-1-[3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propyl]-4-methylpiperidin-3-ol

C18H27NO2 — CID 154412257

IUPAC(3S,4R)-1-[3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propyl]-4-methylpiperidin-3-ol
SMILESC[C@@H]1CCN(CCC[C@@H]2c3ccccc3C[C@H]2O)C[C@H]1O
InChIInChI=1S/C18H27NO2/c1-13-8-10-19(12-18(13)21)9-4-7-16-15-6-3-2-5-14(15)11-17(16)20/h2-3,5-6,13,16-18,20-21H,4,7-12H2,1H3/t13-,16-,17-,18-/m1/s1
InChIKeyPYXGHDGWNGFYAC-BNEJOLLZSA-N
MW289.42 g/mol
LogP2.17
Rot. Bonds4

About (3S,4R)-1-[3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propyl]-4-methylpiperidin-3-ol

(3S,4R)-1-[3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propyl]-4-methylpiperidin-3-ol (PubChem CID 154412257) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is (3S,4R)-1-[3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propyl]-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-1-[3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propyl]-4-methylpiperidin-3-ol
PubChem CID154412257
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name(3S,4R)-1-[3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propyl]-4-methylpiperidin-3-ol
SMILESC[C@@H]1CCN(CCC[C@@H]2c3ccccc3C[C@H]2O)C[C@H]1O
InChIInChI=1S/C18H27NO2/c1-13-8-10-19(12-18(13)21)9-4-7-16-15-6-3-2-5-14(15)11-17(16)20/h2-3,5-6,13,16-18,20-21H,4,7-12H2,1H3/t13-,16-,17-,18-/m1/s1
InChIKeyPYXGHDGWNGFYAC-BNEJOLLZSA-N
XLogP2.17
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S,4R)-1-[3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propyl]-4-methylpiperidin-3-ol with MolForge

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Related Compounds

1-(3-bromopropyl)-4-methylpiperidin-3-ol
CID 102964330
(1S,2S)-1-ethyl-2,3-dihydro-1H-inden-2-ol
CID 130811012
5-(3-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanenitrile
CID 103897919
(3R)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-3-ol
CID 66394300
3-(3-hydroxy-4-methylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-one
CID 102966821
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[3-(4-methylpiperidin-1-yl)propyl]urea
CID 110904213
4-methyl-1-[2-(2-nitrophenyl)ethyl]piperidin-3-ol
CID 102959518
(3R,4S)-4-methyl-1-(4-methyl-4-propoxypentyl)piperidin-3-ol
CID 142979977
1-[2-(2-chloroethoxy)ethyl]-4-methylpiperidin-3-ol
CID 102964300
2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]isoindole-1,3-dione
CID 102959641
ethane;[(1S)-2-methyl-2,3-dihydro-1H-inden-1-yl]methanol
CID 142999040
(1S)-1-methyl-2,3-dihydro-1H-inden-2-ol
CID 89059414

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propyl]-4-methylpiperidin-3-ol?
The IUPAC name of (3S,4R)-1-[3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propyl]-4-methylpiperidin-3-ol (CID 154412257) is (3S,4R)-1-[3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propyl]-4-methylpiperidin-3-ol.
What is the SMILES notation for (3S,4R)-1-[3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propyl]-4-methylpiperidin-3-ol?
The canonical SMILES for (3S,4R)-1-[3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propyl]-4-methylpiperidin-3-ol is C[C@@H]1CCN(CCC[C@@H]2c3ccccc3C[C@H]2O)C[C@H]1O.
What is the InChIKey of (3S,4R)-1-[3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propyl]-4-methylpiperidin-3-ol?
The InChIKey is PYXGHDGWNGFYAC-BNEJOLLZSA-N. The full InChI is InChI=1S/C18H27NO2/c1-13-8-10-19(12-18(13)21)9-4-7-16-15-6-3-2-5-14(15)11-17(16)20/h2-3,5-6,13,16-18,20-21H,4,7-12H2,1H3/t13-,16-,17-,18-/m1/s1.
What are the key properties of (3S,4R)-1-[3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propyl]-4-methylpiperidin-3-ol?
(3S,4R)-1-[3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propyl]-4-methylpiperidin-3-ol has a molecular weight of 289.42 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propyl]-4-methylpiperidin-3-ol is sourced from PubChem (CID 154412257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).