[(2S,3R)-2-(hydroxymethyl)-1-(1H-indol-6-ylmethyl)piperidin-3-yl]methanol

C16H22N2O2 — CID 146139282

IUPAC[(2S,3R)-2-(hydroxymethyl)-1-(1H-indol-6-ylmethyl)piperidin-3-yl]methanol
SMILESOC[C@@H]1CCCN(Cc2ccc3cc[nH]c3c2)[C@@H]1CO
InChIInChI=1S/C16H22N2O2/c19-10-14-2-1-7-18(16(14)11-20)9-12-3-4-13-5-6-17-15(13)8-12/h3-6,8,14,16-17,19-20H,1-2,7,9-11H2/t14-,16+/m0/s1
InChIKeyAZJXADYSFCVWOL-GOEBONIOSA-N
MW274.36 g/mol
LogP1.73
Rot. Bonds4

About [(2S,3R)-2-(hydroxymethyl)-1-(1H-indol-6-ylmethyl)piperidin-3-yl]methanol

[(2S,3R)-2-(hydroxymethyl)-1-(1H-indol-6-ylmethyl)piperidin-3-yl]methanol (PubChem CID 146139282) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is [(2S,3R)-2-(hydroxymethyl)-1-(1H-indol-6-ylmethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(2S,3R)-2-(hydroxymethyl)-1-(1H-indol-6-ylmethyl)piperidin-3-yl]methanol
PubChem CID146139282
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name[(2S,3R)-2-(hydroxymethyl)-1-(1H-indol-6-ylmethyl)piperidin-3-yl]methanol
SMILESOC[C@@H]1CCCN(Cc2ccc3cc[nH]c3c2)[C@@H]1CO
InChIInChI=1S/C16H22N2O2/c19-10-14-2-1-7-18(16(14)11-20)9-12-3-4-13-5-6-17-15(13)8-12/h3-6,8,14,16-17,19-20H,1-2,7,9-11H2/t14-,16+/m0/s1
InChIKeyAZJXADYSFCVWOL-GOEBONIOSA-N
XLogP1.73
TPSA59.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-2-(hydroxymethyl)-1-(1H-indol-6-ylmethyl)piperidin-3-yl]methanol?
The IUPAC name of [(2S,3R)-2-(hydroxymethyl)-1-(1H-indol-6-ylmethyl)piperidin-3-yl]methanol (CID 146139282) is [(2S,3R)-2-(hydroxymethyl)-1-(1H-indol-6-ylmethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [(2S,3R)-2-(hydroxymethyl)-1-(1H-indol-6-ylmethyl)piperidin-3-yl]methanol?
The canonical SMILES for [(2S,3R)-2-(hydroxymethyl)-1-(1H-indol-6-ylmethyl)piperidin-3-yl]methanol is OC[C@@H]1CCCN(Cc2ccc3cc[nH]c3c2)[C@@H]1CO.
What is the InChIKey of [(2S,3R)-2-(hydroxymethyl)-1-(1H-indol-6-ylmethyl)piperidin-3-yl]methanol?
The InChIKey is AZJXADYSFCVWOL-GOEBONIOSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-10-14-2-1-7-18(16(14)11-20)9-12-3-4-13-5-6-17-15(13)8-12/h3-6,8,14,16-17,19-20H,1-2,7,9-11H2/t14-,16+/m0/s1.
What are the key properties of [(2S,3R)-2-(hydroxymethyl)-1-(1H-indol-6-ylmethyl)piperidin-3-yl]methanol?
[(2S,3R)-2-(hydroxymethyl)-1-(1H-indol-6-ylmethyl)piperidin-3-yl]methanol has a molecular weight of 274.36 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-2-(hydroxymethyl)-1-(1H-indol-6-ylmethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 146139282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).