(1S)-1-piperidin-1-yl-2,3-dihydro-1H-inden-5-ol

C14H19NO — CID 129389365

IUPAC(1S)-1-piperidin-1-yl-2,3-dihydro-1H-inden-5-ol
SMILESOc1ccc2c(c1)CC[C@@H]2N1CCCCC1
InChIInChI=1S/C14H19NO/c16-12-5-6-13-11(10-12)4-7-14(13)15-8-2-1-3-9-15/h5-6,10,14,16H,1-4,7-9H2/t14-/m0/s1
InChIKeyMBYSPXSEXYPXKI-AWEZNQCLSA-N
MW217.31 g/mol
LogP2.87
Rot. Bonds1

About (1S)-1-piperidin-1-yl-2,3-dihydro-1H-inden-5-ol

(1S)-1-piperidin-1-yl-2,3-dihydro-1H-inden-5-ol (PubChem CID 129389365) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (1S)-1-piperidin-1-yl-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name(1S)-1-piperidin-1-yl-2,3-dihydro-1H-inden-5-ol
PubChem CID129389365
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(1S)-1-piperidin-1-yl-2,3-dihydro-1H-inden-5-ol
SMILESOc1ccc2c(c1)CC[C@@H]2N1CCCCC1
InChIInChI=1S/C14H19NO/c16-12-5-6-13-11(10-12)4-7-14(13)15-8-2-1-3-9-15/h5-6,10,14,16H,1-4,7-9H2/t14-/m0/s1
InChIKeyMBYSPXSEXYPXKI-AWEZNQCLSA-N
XLogP2.87
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-piperidin-1-yl-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of (1S)-1-piperidin-1-yl-2,3-dihydro-1H-inden-5-ol (CID 129389365) is (1S)-1-piperidin-1-yl-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for (1S)-1-piperidin-1-yl-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for (1S)-1-piperidin-1-yl-2,3-dihydro-1H-inden-5-ol is Oc1ccc2c(c1)CC[C@@H]2N1CCCCC1.
What is the InChIKey of (1S)-1-piperidin-1-yl-2,3-dihydro-1H-inden-5-ol?
The InChIKey is MBYSPXSEXYPXKI-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H19NO/c16-12-5-6-13-11(10-12)4-7-14(13)15-8-2-1-3-9-15/h5-6,10,14,16H,1-4,7-9H2/t14-/m0/s1.
What are the key properties of (1S)-1-piperidin-1-yl-2,3-dihydro-1H-inden-5-ol?
(1S)-1-piperidin-1-yl-2,3-dihydro-1H-inden-5-ol has a molecular weight of 217.31 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-piperidin-1-yl-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 129389365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).