1-(2,3-dihydronaphthalen-2-ylmethyl)piperidin-4-ol

C16H21NO — CID 87603240

IUPAC1-(2,3-dihydronaphthalen-2-ylmethyl)piperidin-4-ol
SMILESOC1CCN(CC2C=c3ccccc3=CC2)CC1
InChIInChI=1S/C16H21NO/c18-16-7-9-17(10-8-16)12-13-5-6-14-3-1-2-4-15(14)11-13/h1-4,6,11,13,16,18H,5,7-10,12H2
InChIKeyLJSFPEOPOXAIGY-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.72
Rot. Bonds2

About 1-(2,3-dihydronaphthalen-2-ylmethyl)piperidin-4-ol

1-(2,3-dihydronaphthalen-2-ylmethyl)piperidin-4-ol (PubChem CID 87603240) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(2,3-dihydronaphthalen-2-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(2,3-dihydronaphthalen-2-ylmethyl)piperidin-4-ol
PubChem CID87603240
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name1-(2,3-dihydronaphthalen-2-ylmethyl)piperidin-4-ol
SMILESOC1CCN(CC2C=c3ccccc3=CC2)CC1
InChIInChI=1S/C16H21NO/c18-16-7-9-17(10-8-16)12-13-5-6-14-3-1-2-4-15(14)11-13/h1-4,6,11,13,16,18H,5,7-10,12H2
InChIKeyLJSFPEOPOXAIGY-UHFFFAOYSA-N
XLogP0.72
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydronaphthalen-2-ylmethyl)piperidin-4-ol?
The IUPAC name of 1-(2,3-dihydronaphthalen-2-ylmethyl)piperidin-4-ol (CID 87603240) is 1-(2,3-dihydronaphthalen-2-ylmethyl)piperidin-4-ol.
What is the SMILES notation for 1-(2,3-dihydronaphthalen-2-ylmethyl)piperidin-4-ol?
The canonical SMILES for 1-(2,3-dihydronaphthalen-2-ylmethyl)piperidin-4-ol is OC1CCN(CC2C=c3ccccc3=CC2)CC1.
What is the InChIKey of 1-(2,3-dihydronaphthalen-2-ylmethyl)piperidin-4-ol?
The InChIKey is LJSFPEOPOXAIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c18-16-7-9-17(10-8-16)12-13-5-6-14-3-1-2-4-15(14)11-13/h1-4,6,11,13,16,18H,5,7-10,12H2.
What are the key properties of 1-(2,3-dihydronaphthalen-2-ylmethyl)piperidin-4-ol?
1-(2,3-dihydronaphthalen-2-ylmethyl)piperidin-4-ol has a molecular weight of 243.35 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydronaphthalen-2-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 87603240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).