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

C15H20ClNO — CID 117418867

IUPAC1-chloro-3-piperidin-3-yl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESOc1c(C2CCCNC2)cc2c(c1Cl)CCCC2
InChIInChI=1S/C15H20ClNO/c16-14-12-6-2-1-4-10(12)8-13(15(14)18)11-5-3-7-17-9-11/h8,11,17-18H,1-7,9H2
InChIKeyPWODFYDGINCAES-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.39
Rot. Bonds1

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

1-chloro-3-piperidin-3-yl-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 117418867) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 1-chloro-3-piperidin-3-yl-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name1-chloro-3-piperidin-3-yl-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID117418867
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name1-chloro-3-piperidin-3-yl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESOc1c(C2CCCNC2)cc2c(c1Cl)CCCC2
InChIInChI=1S/C15H20ClNO/c16-14-12-6-2-1-4-10(12)8-13(15(14)18)11-5-3-7-17-9-11/h8,11,17-18H,1-7,9H2
InChIKeyPWODFYDGINCAES-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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Related Compounds

4-chloro-2-(piperidin-3-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 117474188
3-(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)pyrrolidine
CID 117449131
3-chloro-6-piperidin-3-ylbenzene-1,2-diol
CID 117327832
2-chloro-4-(piperidin-3-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 117474191
3-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)piperidine
CID 117338940
2-fluoro-4-methyl-6-piperidin-3-ylbenzene-1,3-diol
CID 84790142
2,4-difluoro-6-piperidin-3-ylphenol
CID 84782649
3-chloro-4-piperidin-3-ylphenol
CID 82612870
4-chloro-3-piperidin-3-ylphenol
CID 84678781
3-chloro-5-methyl-4-piperidin-3-ylbenzene-1,2-diol
CID 117356245
3-(2,3-dichlorophenyl)piperidine
CID 24904244
2-chloro-6-methyl-4-piperidin-3-ylphenol
CID 84690213

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-piperidin-3-yl-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 1-chloro-3-piperidin-3-yl-5,6,7,8-tetrahydronaphthalen-2-ol (CID 117418867) is 1-chloro-3-piperidin-3-yl-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 1-chloro-3-piperidin-3-yl-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 1-chloro-3-piperidin-3-yl-5,6,7,8-tetrahydronaphthalen-2-ol is Oc1c(C2CCCNC2)cc2c(c1Cl)CCCC2.
What is the InChIKey of 1-chloro-3-piperidin-3-yl-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is PWODFYDGINCAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c16-14-12-6-2-1-4-10(12)8-13(15(14)18)11-5-3-7-17-9-11/h8,11,17-18H,1-7,9H2.
What are the key properties of 1-chloro-3-piperidin-3-yl-5,6,7,8-tetrahydronaphthalen-2-ol?
1-chloro-3-piperidin-3-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 1-chloro-3-piperidin-3-yl-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 117418867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).