(3R,5S)-1-(2,3-dihydro-1H-inden-2-ylmethyl)piperidine-3,4,5-triol

C15H21NO3 — CID 166834254

IUPAC(3R,5S)-1-(2,3-dihydro-1H-inden-2-ylmethyl)piperidine-3,4,5-triol
SMILESOC1[C@H](O)CN(CC2Cc3ccccc3C2)C[C@@H]1O
InChIInChI=1S/C15H21NO3/c17-13-8-16(9-14(18)15(13)19)7-10-5-11-3-1-2-4-12(11)6-10/h1-4,10,13-15,17-19H,5-9H2/t13-,14+,15?
InChIKeyHAZGRSFFQRCQQK-YIONKMFJSA-N
MW263.34 g/mol
LogP-0.20
Rot. Bonds2

About (3R,5S)-1-(2,3-dihydro-1H-inden-2-ylmethyl)piperidine-3,4,5-triol

(3R,5S)-1-(2,3-dihydro-1H-inden-2-ylmethyl)piperidine-3,4,5-triol (PubChem CID 166834254) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (3R,5S)-1-(2,3-dihydro-1H-inden-2-ylmethyl)piperidine-3,4,5-triol.

Molecular Properties

Compound Name(3R,5S)-1-(2,3-dihydro-1H-inden-2-ylmethyl)piperidine-3,4,5-triol
PubChem CID166834254
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(3R,5S)-1-(2,3-dihydro-1H-inden-2-ylmethyl)piperidine-3,4,5-triol
SMILESOC1[C@H](O)CN(CC2Cc3ccccc3C2)C[C@@H]1O
InChIInChI=1S/C15H21NO3/c17-13-8-16(9-14(18)15(13)19)7-10-5-11-3-1-2-4-12(11)6-10/h1-4,10,13-15,17-19H,5-9H2/t13-,14+,15?
InChIKeyHAZGRSFFQRCQQK-YIONKMFJSA-N
XLogP-0.20
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-(2,3-dihydro-1H-inden-2-ylmethyl)piperidine-3,4,5-triol?
The IUPAC name of (3R,5S)-1-(2,3-dihydro-1H-inden-2-ylmethyl)piperidine-3,4,5-triol (CID 166834254) is (3R,5S)-1-(2,3-dihydro-1H-inden-2-ylmethyl)piperidine-3,4,5-triol.
What is the SMILES notation for (3R,5S)-1-(2,3-dihydro-1H-inden-2-ylmethyl)piperidine-3,4,5-triol?
The canonical SMILES for (3R,5S)-1-(2,3-dihydro-1H-inden-2-ylmethyl)piperidine-3,4,5-triol is OC1[C@H](O)CN(CC2Cc3ccccc3C2)C[C@@H]1O.
What is the InChIKey of (3R,5S)-1-(2,3-dihydro-1H-inden-2-ylmethyl)piperidine-3,4,5-triol?
The InChIKey is HAZGRSFFQRCQQK-YIONKMFJSA-N. The full InChI is InChI=1S/C15H21NO3/c17-13-8-16(9-14(18)15(13)19)7-10-5-11-3-1-2-4-12(11)6-10/h1-4,10,13-15,17-19H,5-9H2/t13-,14+,15?.
What are the key properties of (3R,5S)-1-(2,3-dihydro-1H-inden-2-ylmethyl)piperidine-3,4,5-triol?
(3R,5S)-1-(2,3-dihydro-1H-inden-2-ylmethyl)piperidine-3,4,5-triol has a molecular weight of 263.34 g/mol, XLogP of -0.20, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-(2,3-dihydro-1H-inden-2-ylmethyl)piperidine-3,4,5-triol is sourced from PubChem (CID 166834254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).