(2R,3S)-2-[(E)-3-(2,3-dihydroindol-1-yl)prop-1-enyl]piperidin-3-ol

C16H22N2O — CID 135304231

IUPAC(2R,3S)-2-[(E)-3-(2,3-dihydroindol-1-yl)prop-1-enyl]piperidin-3-ol
SMILESO[C@H]1CCCN[C@@H]1/C=C/CN1CCc2ccccc21
InChIInChI=1S/C16H22N2O/c19-16-8-3-10-17-14(16)6-4-11-18-12-9-13-5-1-2-7-15(13)18/h1-2,4-7,14,16-17,19H,3,8-12H2/b6-4+/t14-,16+/m1/s1
InChIKeyNTVARFNIUCOFGE-WQDDEOEWSA-N
MW258.37 g/mol
LogP1.72
Rot. Bonds3

About (2R,3S)-2-[(E)-3-(2,3-dihydroindol-1-yl)prop-1-enyl]piperidin-3-ol

(2R,3S)-2-[(E)-3-(2,3-dihydroindol-1-yl)prop-1-enyl]piperidin-3-ol (PubChem CID 135304231) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is (2R,3S)-2-[(E)-3-(2,3-dihydroindol-1-yl)prop-1-enyl]piperidin-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-[(E)-3-(2,3-dihydroindol-1-yl)prop-1-enyl]piperidin-3-ol
PubChem CID135304231
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name(2R,3S)-2-[(E)-3-(2,3-dihydroindol-1-yl)prop-1-enyl]piperidin-3-ol
SMILESO[C@H]1CCCN[C@@H]1/C=C/CN1CCc2ccccc21
InChIInChI=1S/C16H22N2O/c19-16-8-3-10-17-14(16)6-4-11-18-12-9-13-5-1-2-7-15(13)18/h1-2,4-7,14,16-17,19H,3,8-12H2/b6-4+/t14-,16+/m1/s1
InChIKeyNTVARFNIUCOFGE-WQDDEOEWSA-N
XLogP1.72
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[(E)-3-(2,3-dihydroindol-1-yl)prop-1-enyl]piperidin-3-ol?
The IUPAC name of (2R,3S)-2-[(E)-3-(2,3-dihydroindol-1-yl)prop-1-enyl]piperidin-3-ol (CID 135304231) is (2R,3S)-2-[(E)-3-(2,3-dihydroindol-1-yl)prop-1-enyl]piperidin-3-ol.
What is the SMILES notation for (2R,3S)-2-[(E)-3-(2,3-dihydroindol-1-yl)prop-1-enyl]piperidin-3-ol?
The canonical SMILES for (2R,3S)-2-[(E)-3-(2,3-dihydroindol-1-yl)prop-1-enyl]piperidin-3-ol is O[C@H]1CCCN[C@@H]1/C=C/CN1CCc2ccccc21.
What is the InChIKey of (2R,3S)-2-[(E)-3-(2,3-dihydroindol-1-yl)prop-1-enyl]piperidin-3-ol?
The InChIKey is NTVARFNIUCOFGE-WQDDEOEWSA-N. The full InChI is InChI=1S/C16H22N2O/c19-16-8-3-10-17-14(16)6-4-11-18-12-9-13-5-1-2-7-15(13)18/h1-2,4-7,14,16-17,19H,3,8-12H2/b6-4+/t14-,16+/m1/s1.
What are the key properties of (2R,3S)-2-[(E)-3-(2,3-dihydroindol-1-yl)prop-1-enyl]piperidin-3-ol?
(2R,3S)-2-[(E)-3-(2,3-dihydroindol-1-yl)prop-1-enyl]piperidin-3-ol has a molecular weight of 258.37 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[(E)-3-(2,3-dihydroindol-1-yl)prop-1-enyl]piperidin-3-ol is sourced from PubChem (CID 135304231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).