1-(6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)-4-phenylpiperidin-4-ol

C20H22ClNO3 — CID 19919718

IUPAC1-(6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)-4-phenylpiperidin-4-ol
SMILESOC1c2cc(Cl)ccc2OCC1N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C20H22ClNO3/c21-15-6-7-18-16(12-15)19(23)17(13-25-18)22-10-8-20(24,9-11-22)14-4-2-1-3-5-14/h1-7,12,17,19,23-24H,8-11,13H2
InChIKeyIOLKRIOYJBGNIH-UHFFFAOYSA-N
MW359.85 g/mol
LogP3.12
Rot. Bonds2

About 1-(6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)-4-phenylpiperidin-4-ol

1-(6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)-4-phenylpiperidin-4-ol (PubChem CID 19919718) has the molecular formula C20H22ClNO3 and a molecular weight of 359.85 g/mol. Its IUPAC name is 1-(6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)-4-phenylpiperidin-4-ol.

Molecular Properties

Compound Name1-(6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)-4-phenylpiperidin-4-ol
PubChem CID19919718
Molecular FormulaC20H22ClNO3
Molecular Weight359.85 g/mol
Exact Mass359.13
IUPAC Name1-(6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)-4-phenylpiperidin-4-ol
SMILESOC1c2cc(Cl)ccc2OCC1N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C20H22ClNO3/c21-15-6-7-18-16(12-15)19(23)17(13-25-18)22-10-8-20(24,9-11-22)14-4-2-1-3-5-14/h1-7,12,17,19,23-24H,8-11,13H2
InChIKeyIOLKRIOYJBGNIH-UHFFFAOYSA-N
XLogP3.12
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.85
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)-4-phenylpiperidin-4-ol?
The IUPAC name of 1-(6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)-4-phenylpiperidin-4-ol (CID 19919718) is 1-(6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)-4-phenylpiperidin-4-ol.
What is the SMILES notation for 1-(6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)-4-phenylpiperidin-4-ol?
The canonical SMILES for 1-(6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)-4-phenylpiperidin-4-ol is OC1c2cc(Cl)ccc2OCC1N1CCC(O)(c2ccccc2)CC1.
What is the InChIKey of 1-(6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)-4-phenylpiperidin-4-ol?
The InChIKey is IOLKRIOYJBGNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO3/c21-15-6-7-18-16(12-15)19(23)17(13-25-18)22-10-8-20(24,9-11-22)14-4-2-1-3-5-14/h1-7,12,17,19,23-24H,8-11,13H2.
What are the key properties of 1-(6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)-4-phenylpiperidin-4-ol?
1-(6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)-4-phenylpiperidin-4-ol has a molecular weight of 359.85 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)-4-phenylpiperidin-4-ol is sourced from PubChem (CID 19919718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).