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

C17H24ClNO2 — CID 82188627

IUPAC6-chloro-8-ethyl-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol
SMILESCCc1cc(Cl)cc2c1OCC(O)C2N1CCCCC1C
InChIInChI=1S/C17H24ClNO2/c1-3-12-8-13(18)9-14-16(15(20)10-21-17(12)14)19-7-5-4-6-11(19)2/h8-9,11,15-16,20H,3-7,10H2,1-2H3
InChIKeyNBVAYVUFJRNXTP-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.57
Rot. Bonds2

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

6-chloro-8-ethyl-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol (PubChem CID 82188627) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 6-chloro-8-ethyl-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol.

Molecular Properties

Compound Name6-chloro-8-ethyl-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol
PubChem CID82188627
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name6-chloro-8-ethyl-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol
SMILESCCc1cc(Cl)cc2c1OCC(O)C2N1CCCCC1C
InChIInChI=1S/C17H24ClNO2/c1-3-12-8-13(18)9-14-16(15(20)10-21-17(12)14)19-7-5-4-6-11(19)2/h8-9,11,15-16,20H,3-7,10H2,1-2H3
InChIKeyNBVAYVUFJRNXTP-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-ethyl-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol?
The IUPAC name of 6-chloro-8-ethyl-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol (CID 82188627) is 6-chloro-8-ethyl-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol.
What is the SMILES notation for 6-chloro-8-ethyl-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol?
The canonical SMILES for 6-chloro-8-ethyl-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol is CCc1cc(Cl)cc2c1OCC(O)C2N1CCCCC1C.
What is the InChIKey of 6-chloro-8-ethyl-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol?
The InChIKey is NBVAYVUFJRNXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-3-12-8-13(18)9-14-16(15(20)10-21-17(12)14)19-7-5-4-6-11(19)2/h8-9,11,15-16,20H,3-7,10H2,1-2H3.
What are the key properties of 6-chloro-8-ethyl-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol?
6-chloro-8-ethyl-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol has a molecular weight of 309.84 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-ethyl-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol is sourced from PubChem (CID 82188627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).