6-(chloromethyl)-4-fluoro-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol;hydrochloride

C19H28Cl2FNO2 — CID 69350618

IUPAC6-(chloromethyl)-4-fluoro-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol;hydrochloride
SMILESCOc1c(CCl)cc(F)c2c1C(O)(C1CCN(C)CC1)C(C)(C)C2.Cl
InChIInChI=1S/C19H27ClFNO2.ClH/c1-18(2)10-14-15(21)9-12(11-20)17(24-4)16(14)19(18,23)13-5-7-22(3)8-6-13;/h9,13,23H,5-8,10-11H2,1-4H3;1H
InChIKeyPQOWILDZWFYOER-UHFFFAOYSA-N
MW392.34 g/mol
LogP4.11
Rot. Bonds3

About 6-(chloromethyl)-4-fluoro-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol;hydrochloride

6-(chloromethyl)-4-fluoro-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol;hydrochloride (PubChem CID 69350618) has the molecular formula C19H28Cl2FNO2 and a molecular weight of 392.34 g/mol. Its IUPAC name is 6-(chloromethyl)-4-fluoro-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol;hydrochloride.

Molecular Properties

Compound Name6-(chloromethyl)-4-fluoro-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol;hydrochloride
PubChem CID69350618
Molecular FormulaC19H28Cl2FNO2
Molecular Weight392.34 g/mol
Exact Mass391.15
IUPAC Name6-(chloromethyl)-4-fluoro-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol;hydrochloride
SMILESCOc1c(CCl)cc(F)c2c1C(O)(C1CCN(C)CC1)C(C)(C)C2.Cl
InChIInChI=1S/C19H27ClFNO2.ClH/c1-18(2)10-14-15(21)9-12(11-20)17(24-4)16(14)19(18,23)13-5-7-22(3)8-6-13;/h9,13,23H,5-8,10-11H2,1-4H3;1H
InChIKeyPQOWILDZWFYOER-UHFFFAOYSA-N
XLogP4.11
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.34
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 6-(chloromethyl)-4-fluoro-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol;hydrochloride with MolForge

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Related Compounds

4,6-difluoro-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58951210
4-fluoro-6-isocyano-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58951142
4,7-difluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58951140
7-ethyl-5-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 69351084
7-ethenyl-4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58951028
7-fluoro-6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58951058
4-bromo-6-fluoro-2,2,5-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58950909
5-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)-3H-inden-1-ol
CID 71171891
but-2-enedioic acid;7-fluoro-3-hydroxy-2,2-dimethyl-3-(1-methylpiperidin-4-yl)-1H-indene-4-carbonitrile
CID 69350206
6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58950918
5,6-dichloro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58950978
8-bromo-5-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol
CID 58950910

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-4-fluoro-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol;hydrochloride?
The IUPAC name of 6-(chloromethyl)-4-fluoro-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol;hydrochloride (CID 69350618) is 6-(chloromethyl)-4-fluoro-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol;hydrochloride.
What is the SMILES notation for 6-(chloromethyl)-4-fluoro-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol;hydrochloride?
The canonical SMILES for 6-(chloromethyl)-4-fluoro-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol;hydrochloride is COc1c(CCl)cc(F)c2c1C(O)(C1CCN(C)CC1)C(C)(C)C2.Cl.
What is the InChIKey of 6-(chloromethyl)-4-fluoro-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol;hydrochloride?
The InChIKey is PQOWILDZWFYOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClFNO2.ClH/c1-18(2)10-14-15(21)9-12(11-20)17(24-4)16(14)19(18,23)13-5-7-22(3)8-6-13;/h9,13,23H,5-8,10-11H2,1-4H3;1H.
What are the key properties of 6-(chloromethyl)-4-fluoro-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol;hydrochloride?
6-(chloromethyl)-4-fluoro-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol;hydrochloride has a molecular weight of 392.34 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-4-fluoro-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol;hydrochloride is sourced from PubChem (CID 69350618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).