6-chloro-4-(2-ethylpiperidin-1-yl)-8-methyl-3,4-dihydro-2H-chromen-3-ol

C17H24ClNO2 — CID 82188618

IUPAC6-chloro-4-(2-ethylpiperidin-1-yl)-8-methyl-3,4-dihydro-2H-chromen-3-ol
SMILESCCC1CCCCN1C1c2cc(Cl)cc(C)c2OCC1O
InChIInChI=1S/C17H24ClNO2/c1-3-13-6-4-5-7-19(13)16-14-9-12(18)8-11(2)17(14)21-10-15(16)20/h8-9,13,15-16,20H,3-7,10H2,1-2H3
InChIKeyRTEGRAZNIHWNLV-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.71
Rot. Bonds2

About 6-chloro-4-(2-ethylpiperidin-1-yl)-8-methyl-3,4-dihydro-2H-chromen-3-ol

6-chloro-4-(2-ethylpiperidin-1-yl)-8-methyl-3,4-dihydro-2H-chromen-3-ol (PubChem CID 82188618) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 6-chloro-4-(2-ethylpiperidin-1-yl)-8-methyl-3,4-dihydro-2H-chromen-3-ol.

Molecular Properties

Compound Name6-chloro-4-(2-ethylpiperidin-1-yl)-8-methyl-3,4-dihydro-2H-chromen-3-ol
PubChem CID82188618
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name6-chloro-4-(2-ethylpiperidin-1-yl)-8-methyl-3,4-dihydro-2H-chromen-3-ol
SMILESCCC1CCCCN1C1c2cc(Cl)cc(C)c2OCC1O
InChIInChI=1S/C17H24ClNO2/c1-3-13-6-4-5-7-19(13)16-14-9-12(18)8-11(2)17(14)21-10-15(16)20/h8-9,13,15-16,20H,3-7,10H2,1-2H3
InChIKeyRTEGRAZNIHWNLV-UHFFFAOYSA-N
XLogP3.71
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-3-(2-ethylpiperidin-1-yl)-8-methyl-3,4-dihydro-2H-chromen-4-ol
CID 82187006
4-(2-ethylpiperidin-1-yl)-8-methyl-3,4-dihydro-2H-chromen-3-ol
CID 82188387
6-chloro-8-ethyl-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol
CID 82188627
8-chloro-6-ethyl-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol
CID 82188675
6-chloro-8-fluoro-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-ol
CID 82188651
6-chloro-8-fluoro-4-piperidin-1-yl-3,4-dihydro-2H-chromen-3-ol
CID 82188650
trans-(1S,2S)-2-(2-ethylpiperidin-1-yl)cyclohexan-1-ol
CID 102731877
3-(2-ethylpiperidin-1-yl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 82186639
6-chloro-8-ethyl-4-morpholin-4-yl-3,4-dihydro-2H-chromen-3-ol
CID 82188629
(3-chloro-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 71025506
5-chloro-N-cyclopropyl-7-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 43512040
4-(2-ethylpiperidin-1-yl)cyclohexan-1-ol
CID 112546179

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(2-ethylpiperidin-1-yl)-8-methyl-3,4-dihydro-2H-chromen-3-ol?
The IUPAC name of 6-chloro-4-(2-ethylpiperidin-1-yl)-8-methyl-3,4-dihydro-2H-chromen-3-ol (CID 82188618) is 6-chloro-4-(2-ethylpiperidin-1-yl)-8-methyl-3,4-dihydro-2H-chromen-3-ol.
What is the SMILES notation for 6-chloro-4-(2-ethylpiperidin-1-yl)-8-methyl-3,4-dihydro-2H-chromen-3-ol?
The canonical SMILES for 6-chloro-4-(2-ethylpiperidin-1-yl)-8-methyl-3,4-dihydro-2H-chromen-3-ol is CCC1CCCCN1C1c2cc(Cl)cc(C)c2OCC1O.
What is the InChIKey of 6-chloro-4-(2-ethylpiperidin-1-yl)-8-methyl-3,4-dihydro-2H-chromen-3-ol?
The InChIKey is RTEGRAZNIHWNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-3-13-6-4-5-7-19(13)16-14-9-12(18)8-11(2)17(14)21-10-15(16)20/h8-9,13,15-16,20H,3-7,10H2,1-2H3.
What are the key properties of 6-chloro-4-(2-ethylpiperidin-1-yl)-8-methyl-3,4-dihydro-2H-chromen-3-ol?
6-chloro-4-(2-ethylpiperidin-1-yl)-8-methyl-3,4-dihydro-2H-chromen-3-ol has a molecular weight of 309.84 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(2-ethylpiperidin-1-yl)-8-methyl-3,4-dihydro-2H-chromen-3-ol is sourced from PubChem (CID 82188618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).