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

C16H22ClNO2 — CID 82188605

IUPAC6-chloro-4-(2,6-dimethylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol
SMILESCC1CCCC(C)N1C1c2cc(Cl)ccc2OCC1O
InChIInChI=1S/C16H22ClNO2/c1-10-4-3-5-11(2)18(10)16-13-8-12(17)6-7-15(13)20-9-14(16)19/h6-8,10-11,14,16,19H,3-5,9H2,1-2H3
InChIKeyBLHAZFZYYGGPJA-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.40
Rot. Bonds1

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

6-chloro-4-(2,6-dimethylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol (PubChem CID 82188605) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 6-chloro-4-(2,6-dimethylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol.

Molecular Properties

Compound Name6-chloro-4-(2,6-dimethylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol
PubChem CID82188605
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name6-chloro-4-(2,6-dimethylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol
SMILESCC1CCCC(C)N1C1c2cc(Cl)ccc2OCC1O
InChIInChI=1S/C16H22ClNO2/c1-10-4-3-5-11(2)18(10)16-13-8-12(17)6-7-15(13)20-9-14(16)19/h6-8,10-11,14,16,19H,3-5,9H2,1-2H3
InChIKeyBLHAZFZYYGGPJA-UHFFFAOYSA-N
XLogP3.40
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-4-amino-6-chloro-3,4-dihydro-2H-chromen-3-ol
CID 71517079
7-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CID 64981565
6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 15148408
1-(5-chloro-2,3-dihydro-1-benzofuran-3-yl)-2-methylpropan-2-ol
CID 117201917
4-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol
CID 82188367
6-chloro-8-ethyl-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol
CID 82188627
6-chloro-2,3-dihydro-1-benzofuran-3-ol
CID 59606807
5-chloro-2,3-dihydro-1-benzofuran-3-carbaldehyde
CID 117201907
[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] (3R)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate
CID 8641537
3-[bis(2-hydroxyethyl)amino]-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 82186979
6-chloro-4-ethynyl-3-(2-fluoropropan-2-yl)-3,4-dihydro-2H-chromene
CID 10848455
6-chloro-2-cyclobutyl-3,4-dihydro-2H-chromen-4-ol
CID 114714497

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(2,6-dimethylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol?
The IUPAC name of 6-chloro-4-(2,6-dimethylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol (CID 82188605) is 6-chloro-4-(2,6-dimethylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol.
What is the SMILES notation for 6-chloro-4-(2,6-dimethylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol?
The canonical SMILES for 6-chloro-4-(2,6-dimethylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol is CC1CCCC(C)N1C1c2cc(Cl)ccc2OCC1O.
What is the InChIKey of 6-chloro-4-(2,6-dimethylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol?
The InChIKey is BLHAZFZYYGGPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-10-4-3-5-11(2)18(10)16-13-8-12(17)6-7-15(13)20-9-14(16)19/h6-8,10-11,14,16,19H,3-5,9H2,1-2H3.
What are the key properties of 6-chloro-4-(2,6-dimethylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol?
6-chloro-4-(2,6-dimethylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol has a molecular weight of 295.81 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(2,6-dimethylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol is sourced from PubChem (CID 82188605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).