(1S,2R)-2-(piperidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-ol

C15H21NO — CID 24839426

IUPAC(1S,2R)-2-(piperidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-ol
SMILESO[C@@H]1c2ccccc2C[C@@H]1CC1CCCCN1
InChIInChI=1S/C15H21NO/c17-15-12(10-13-6-3-4-8-16-13)9-11-5-1-2-7-14(11)15/h1-2,5,7,12-13,15-17H,3-4,6,8-10H2/t12-,13?,15+/m1/s1
InChIKeyNSKQZYPQQYYWJR-JHIQODARSA-N
MW231.34 g/mol
LogP2.42
Rot. Bonds2

About (1S,2R)-2-(piperidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-ol

(1S,2R)-2-(piperidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-ol (PubChem CID 24839426) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (1S,2R)-2-(piperidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-(piperidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-ol
PubChem CID24839426
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(1S,2R)-2-(piperidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-ol
SMILESO[C@@H]1c2ccccc2C[C@@H]1CC1CCCCN1
InChIInChI=1S/C15H21NO/c17-15-12(10-13-6-3-4-8-16-13)9-11-5-1-2-7-14(11)15/h1-2,5,7,12-13,15-17H,3-4,6,8-10H2/t12-,13?,15+/m1/s1
InChIKeyNSKQZYPQQYYWJR-JHIQODARSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-inden-2-ylamino)-1-phenylethanol
CID 2809736
Phenyl(piperidin-2-yl)methanol
CID 225581
(4-Fluorophenyl)(piperidin-4-yl)methanol
CID 4778266
8-Phenyl-3-aza-bicyclo[3.2.1]octan-8-ol
CID 44282181
1-Phenyl-2-piperidin-2-ylethanol
CID 328124
(alphaS,2S)-alpha-Phenyl-2-piperidineethanol
CID 10856632
2-(1-Methylpiperidin-4-yl)-2,3-dihydro-1H-inden-1-ol
CID 210015
Phenyl-piperidin-4-yl-methanol
CID 339086
[2-(Piperidin-4-yl)phenyl]methanol
CID 21936927
(2-((Piperidin-4-yl)methyl)phenyl)methanol
CID 84778684
[2-(Piperidin-3-yl)phenyl]methanol
CID 16203228
(1R)-1-Phenyl-2-[(2R)-piperidin-2-yl]ethanol
CID 10878293

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-(piperidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1S,2R)-2-(piperidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-ol (CID 24839426) is (1S,2R)-2-(piperidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1S,2R)-2-(piperidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1S,2R)-2-(piperidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-ol is O[C@@H]1c2ccccc2C[C@@H]1CC1CCCCN1.
What is the InChIKey of (1S,2R)-2-(piperidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is NSKQZYPQQYYWJR-JHIQODARSA-N. The full InChI is InChI=1S/C15H21NO/c17-15-12(10-13-6-3-4-8-16-13)9-11-5-1-2-7-14(11)15/h1-2,5,7,12-13,15-17H,3-4,6,8-10H2/t12-,13?,15+/m1/s1.
What are the key properties of (1S,2R)-2-(piperidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-ol?
(1S,2R)-2-(piperidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 231.34 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-(piperidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 24839426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).