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

C17H24ClNO2 — CID 82188675

IUPAC8-chloro-6-ethyl-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol
SMILESCCc1cc(Cl)c2c(c1)C(N1CCCCC1C)C(O)CO2
InChIInChI=1S/C17H24ClNO2/c1-3-12-8-13-16(19-7-5-4-6-11(19)2)15(20)10-21-17(13)14(18)9-12/h8-9,11,15-16,20H,3-7,10H2,1-2H3
InChIKeyIRTUIPBIVJNRQK-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.57
Rot. Bonds2

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

8-chloro-6-ethyl-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol (PubChem CID 82188675) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 8-chloro-6-ethyl-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol.

Molecular Properties

Compound Name8-chloro-6-ethyl-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol
PubChem CID82188675
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name8-chloro-6-ethyl-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol
SMILESCCc1cc(Cl)c2c(c1)C(N1CCCCC1C)C(O)CO2
InChIInChI=1S/C17H24ClNO2/c1-3-12-8-13-16(19-7-5-4-6-11(19)2)15(20)10-21-17(13)14(18)9-12/h8-9,11,15-16,20H,3-7,10H2,1-2H3
InChIKeyIRTUIPBIVJNRQK-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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Related Compounds

6-chloro-8-ethyl-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol
CID 82188627
8-ethoxy-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol
CID 82188705
8-methoxy-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol
CID 82188687
4-(2-ethylpiperidin-1-yl)-8-methyl-3,4-dihydro-2H-chromen-3-ol
CID 82188387
9-chloro-7-ethyl-3,4-dimethyl-3,5-dihydro-2H-1,4-benzoxazepine;ethane
CID 166553399
6-chloro-8-ethyl-4-morpholin-4-yl-3,4-dihydro-2H-chromen-3-ol
CID 82188629
8-chloro-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-ol
CID 82188575
N-[[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 81152195
6-chloro-3-(2-ethylpiperidin-1-yl)-8-methyl-3,4-dihydro-2H-chromen-4-ol
CID 82187006
6-chloro-8-fluoro-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-ol
CID 82188651
trans-(1S,2S)-2-(2-methylpiperidin-1-yl)cyclopentan-1-ol
CID 102734292
6-chloro-4-(2,6-dimethylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol
CID 82188605

Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-ethyl-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol?
The IUPAC name of 8-chloro-6-ethyl-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol (CID 82188675) is 8-chloro-6-ethyl-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol.
What is the SMILES notation for 8-chloro-6-ethyl-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol?
The canonical SMILES for 8-chloro-6-ethyl-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol is CCc1cc(Cl)c2c(c1)C(N1CCCCC1C)C(O)CO2.
What is the InChIKey of 8-chloro-6-ethyl-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol?
The InChIKey is IRTUIPBIVJNRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-3-12-8-13-16(19-7-5-4-6-11(19)2)15(20)10-21-17(13)14(18)9-12/h8-9,11,15-16,20H,3-7,10H2,1-2H3.
What are the key properties of 8-chloro-6-ethyl-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol?
8-chloro-6-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 8-chloro-6-ethyl-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol is sourced from PubChem (CID 82188675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).