8-chloro-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3,4-dihydrochromen-4-ol

C17H24ClNO2 — CID 82187363

IUPAC8-chloro-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3,4-dihydrochromen-4-ol
SMILESCC1CCCN(C2C(O)c3cccc(Cl)c3OC2(C)C)C1
InChIInChI=1S/C17H24ClNO2/c1-11-6-5-9-19(10-11)16-14(20)12-7-4-8-13(18)15(12)21-17(16,2)3/h4,7-8,11,14,16,20H,5-6,9-10H2,1-3H3
InChIKeyUIWREZXNRWVBMS-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.64
Rot. Bonds1

About 8-chloro-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3,4-dihydrochromen-4-ol

8-chloro-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3,4-dihydrochromen-4-ol (PubChem CID 82187363) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 8-chloro-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name8-chloro-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3,4-dihydrochromen-4-ol
PubChem CID82187363
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name8-chloro-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3,4-dihydrochromen-4-ol
SMILESCC1CCCN(C2C(O)c3cccc(Cl)c3OC2(C)C)C1
InChIInChI=1S/C17H24ClNO2/c1-11-6-5-9-19(10-11)16-14(20)12-7-4-8-13(18)15(12)21-17(16,2)3/h4,7-8,11,14,16,20H,5-6,9-10H2,1-3H3
InChIKeyUIWREZXNRWVBMS-UHFFFAOYSA-N
XLogP3.64
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3,4-dihydrochromen-4-ol?
The IUPAC name of 8-chloro-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3,4-dihydrochromen-4-ol (CID 82187363) is 8-chloro-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3,4-dihydrochromen-4-ol.
What is the SMILES notation for 8-chloro-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3,4-dihydrochromen-4-ol?
The canonical SMILES for 8-chloro-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3,4-dihydrochromen-4-ol is CC1CCCN(C2C(O)c3cccc(Cl)c3OC2(C)C)C1.
What is the InChIKey of 8-chloro-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3,4-dihydrochromen-4-ol?
The InChIKey is UIWREZXNRWVBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-11-6-5-9-19(10-11)16-14(20)12-7-4-8-13(18)15(12)21-17(16,2)3/h4,7-8,11,14,16,20H,5-6,9-10H2,1-3H3.
What are the key properties of 8-chloro-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3,4-dihydrochromen-4-ol?
8-chloro-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3,4-dihydrochromen-4-ol has a molecular weight of 309.84 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 82187363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).