1-(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-phenylpiperidin-4-ol

C21H25NO2 — CID 19919725

IUPAC1-(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-phenylpiperidin-4-ol
SMILESOC1c2ccccc2CCC1N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C21H25NO2/c23-20-18-9-5-4-6-16(18)10-11-19(20)22-14-12-21(24,13-15-22)17-7-2-1-3-8-17/h1-9,19-20,23-24H,10-15H2
InChIKeyBTPSOIMWUANJOG-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.02
Rot. Bonds2

About 1-(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-phenylpiperidin-4-ol

1-(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-phenylpiperidin-4-ol (PubChem CID 19919725) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-phenylpiperidin-4-ol.

Molecular Properties

Compound Name1-(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-phenylpiperidin-4-ol
PubChem CID19919725
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name1-(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-phenylpiperidin-4-ol
SMILESOC1c2ccccc2CCC1N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C21H25NO2/c23-20-18-9-5-4-6-16(18)10-11-19(20)22-14-12-21(24,13-15-22)17-7-2-1-3-8-17/h1-9,19-20,23-24H,10-15H2
InChIKeyBTPSOIMWUANJOG-UHFFFAOYSA-N
XLogP3.02
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-phenylpiperidin-4-ol?
The IUPAC name of 1-(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-phenylpiperidin-4-ol (CID 19919725) is 1-(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-phenylpiperidin-4-ol.
What is the SMILES notation for 1-(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-phenylpiperidin-4-ol?
The canonical SMILES for 1-(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-phenylpiperidin-4-ol is OC1c2ccccc2CCC1N1CCC(O)(c2ccccc2)CC1.
What is the InChIKey of 1-(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-phenylpiperidin-4-ol?
The InChIKey is BTPSOIMWUANJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c23-20-18-9-5-4-6-16(18)10-11-19(20)22-14-12-21(24,13-15-22)17-7-2-1-3-8-17/h1-9,19-20,23-24H,10-15H2.
What are the key properties of 1-(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-phenylpiperidin-4-ol?
1-(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-phenylpiperidin-4-ol has a molecular weight of 323.44 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-phenylpiperidin-4-ol is sourced from PubChem (CID 19919725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).