3-chloro-1-piperidin-4-yl-5,6,7,8-tetrahydronaphthalen-2-ol

C15H20ClNO — CID 117418849

IUPAC3-chloro-1-piperidin-4-yl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESOc1c(Cl)cc2c(c1C1CCNCC1)CCCC2
InChIInChI=1S/C15H20ClNO/c16-13-9-11-3-1-2-4-12(11)14(15(13)18)10-5-7-17-8-6-10/h9-10,17-18H,1-8H2
InChIKeyAPFSBISGJFISAZ-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.39
Rot. Bonds1

About 3-chloro-1-piperidin-4-yl-5,6,7,8-tetrahydronaphthalen-2-ol

3-chloro-1-piperidin-4-yl-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 117418849) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 3-chloro-1-piperidin-4-yl-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name3-chloro-1-piperidin-4-yl-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID117418849
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name3-chloro-1-piperidin-4-yl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESOc1c(Cl)cc2c(c1C1CCNCC1)CCCC2
InChIInChI=1S/C15H20ClNO/c16-13-9-11-3-1-2-4-12(11)14(15(13)18)10-5-7-17-8-6-10/h9-10,17-18H,1-8H2
InChIKeyAPFSBISGJFISAZ-UHFFFAOYSA-N
XLogP3.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-piperidin-4-yl-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 3-chloro-1-piperidin-4-yl-5,6,7,8-tetrahydronaphthalen-2-ol (CID 117418849) is 3-chloro-1-piperidin-4-yl-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 3-chloro-1-piperidin-4-yl-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 3-chloro-1-piperidin-4-yl-5,6,7,8-tetrahydronaphthalen-2-ol is Oc1c(Cl)cc2c(c1C1CCNCC1)CCCC2.
What is the InChIKey of 3-chloro-1-piperidin-4-yl-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is APFSBISGJFISAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c16-13-9-11-3-1-2-4-12(11)14(15(13)18)10-5-7-17-8-6-10/h9-10,17-18H,1-8H2.
What are the key properties of 3-chloro-1-piperidin-4-yl-5,6,7,8-tetrahydronaphthalen-2-ol?
3-chloro-1-piperidin-4-yl-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 265.78 g/mol, XLogP of 3.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-piperidin-4-yl-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 117418849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).