1-chloro-4-piperidin-1-ylnaphthalen-2-ol;naphthalen-2-ol

C25H24ClNO2 — CID 162230418

IUPAC1-chloro-4-piperidin-1-ylnaphthalen-2-ol;naphthalen-2-ol
SMILESOc1cc(N2CCCCC2)c2ccccc2c1Cl.Oc1ccc2ccccc2c1
InChIInChI=1S/C15H16ClNO.C10H8O/c16-15-12-7-3-2-6-11(12)13(10-14(15)18)17-8-4-1-5-9-17;11-10-6-5-8-3-1-2-4-9(8)7-10/h2-3,6-7,10,18H,1,4-5,8-9H2;1-7,11H
InChIKeyZVIPDOPPIQQHDT-UHFFFAOYSA-N
MW405.93 g/mol
LogP6.73
Rot. Bonds1

About 1-chloro-4-piperidin-1-ylnaphthalen-2-ol;naphthalen-2-ol

1-chloro-4-piperidin-1-ylnaphthalen-2-ol;naphthalen-2-ol (PubChem CID 162230418) has the molecular formula C25H24ClNO2 and a molecular weight of 405.93 g/mol. Its IUPAC name is 1-chloro-4-piperidin-1-ylnaphthalen-2-ol;naphthalen-2-ol.

Molecular Properties

Compound Name1-chloro-4-piperidin-1-ylnaphthalen-2-ol;naphthalen-2-ol
PubChem CID162230418
Molecular FormulaC25H24ClNO2
Molecular Weight405.93 g/mol
Exact Mass405.15
IUPAC Name1-chloro-4-piperidin-1-ylnaphthalen-2-ol;naphthalen-2-ol
SMILESOc1cc(N2CCCCC2)c2ccccc2c1Cl.Oc1ccc2ccccc2c1
InChIInChI=1S/C15H16ClNO.C10H8O/c16-15-12-7-3-2-6-11(12)13(10-14(15)18)17-8-4-1-5-9-17;11-10-6-5-8-3-1-2-4-9(8)7-10/h2-3,6-7,10,18H,1,4-5,8-9H2;1-7,11H
InChIKeyZVIPDOPPIQQHDT-UHFFFAOYSA-N
XLogP6.73
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.93
LogP ≤ 56.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 69280188
CID 69280188
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CID 91107047
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CID 154350048
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1-anthracen-1-ylpiperidine
CID 87717909
1-phenanthren-1-ylpyrrolidine
CID 138533599
4-piperidin-1-ylquinoline-2-carboxylic acid
CID 55222187
anthracene;1,2,3,4-tetrachloronaphthalene
CID 174900064
naphthalene-2-carboxylic acid;naphthalen-2-ol
CID 161405760
6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-ol
CID 58876156

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-piperidin-1-ylnaphthalen-2-ol;naphthalen-2-ol?
The IUPAC name of 1-chloro-4-piperidin-1-ylnaphthalen-2-ol;naphthalen-2-ol (CID 162230418) is 1-chloro-4-piperidin-1-ylnaphthalen-2-ol;naphthalen-2-ol.
What is the SMILES notation for 1-chloro-4-piperidin-1-ylnaphthalen-2-ol;naphthalen-2-ol?
The canonical SMILES for 1-chloro-4-piperidin-1-ylnaphthalen-2-ol;naphthalen-2-ol is Oc1cc(N2CCCCC2)c2ccccc2c1Cl.Oc1ccc2ccccc2c1.
What is the InChIKey of 1-chloro-4-piperidin-1-ylnaphthalen-2-ol;naphthalen-2-ol?
The InChIKey is ZVIPDOPPIQQHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO.C10H8O/c16-15-12-7-3-2-6-11(12)13(10-14(15)18)17-8-4-1-5-9-17;11-10-6-5-8-3-1-2-4-9(8)7-10/h2-3,6-7,10,18H,1,4-5,8-9H2;1-7,11H.
What are the key properties of 1-chloro-4-piperidin-1-ylnaphthalen-2-ol;naphthalen-2-ol?
1-chloro-4-piperidin-1-ylnaphthalen-2-ol;naphthalen-2-ol has a molecular weight of 405.93 g/mol, XLogP of 6.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-piperidin-1-ylnaphthalen-2-ol;naphthalen-2-ol is sourced from PubChem (CID 162230418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).