6-[(4-fluoro-3-methylphenyl)methoxy]spiro[3,4-dihydroisochromene-1,4'-piperidine];hydrochloride

C21H25ClFNO2 — CID 154919619

IUPAC6-[(4-fluoro-3-methylphenyl)methoxy]spiro[3,4-dihydroisochromene-1,4'-piperidine];hydrochloride
SMILESCc1cc(COc2ccc3c(c2)CCOC32CCNCC2)ccc1F.Cl
InChIInChI=1S/C21H24FNO2.ClH/c1-15-12-16(2-5-20(15)22)14-24-18-3-4-19-17(13-18)6-11-25-21(19)7-9-23-10-8-21;/h2-5,12-13,23H,6-11,14H2,1H3;1H
InChIKeyASWWGLDADSIRRH-UHFFFAOYSA-N
MW377.89 g/mol
LogP4.29
Rot. Bonds3

About 6-[(4-fluoro-3-methylphenyl)methoxy]spiro[3,4-dihydroisochromene-1,4'-piperidine];hydrochloride

6-[(4-fluoro-3-methylphenyl)methoxy]spiro[3,4-dihydroisochromene-1,4'-piperidine];hydrochloride (PubChem CID 154919619) has the molecular formula C21H25ClFNO2 and a molecular weight of 377.89 g/mol. Its IUPAC name is 6-[(4-fluoro-3-methylphenyl)methoxy]spiro[3,4-dihydroisochromene-1,4'-piperidine];hydrochloride.

Molecular Properties

Compound Name6-[(4-fluoro-3-methylphenyl)methoxy]spiro[3,4-dihydroisochromene-1,4'-piperidine];hydrochloride
PubChem CID154919619
Molecular FormulaC21H25ClFNO2
Molecular Weight377.89 g/mol
Exact Mass377.16
IUPAC Name6-[(4-fluoro-3-methylphenyl)methoxy]spiro[3,4-dihydroisochromene-1,4'-piperidine];hydrochloride
SMILESCc1cc(COc2ccc3c(c2)CCOC32CCNCC2)ccc1F.Cl
InChIInChI=1S/C21H24FNO2.ClH/c1-15-12-16(2-5-20(15)22)14-24-18-3-4-19-17(13-18)6-11-25-21(19)7-9-23-10-8-21;/h2-5,12-13,23H,6-11,14H2,1H3;1H
InChIKeyASWWGLDADSIRRH-UHFFFAOYSA-N
XLogP4.29
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.89
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(2-methyl-1,3-oxazol-4-yl)methoxy]spiro[3,4-dihydroisochromene-1,4'-piperidine]
CID 146041352
4-[(3,4-dimethoxyphenyl)methoxy]-1-fluoro-2-methylbenzene
CID 81421870
6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]
CID 21423163
(Z)-N'-methylethene-1,2-diamine;6-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]
CID 168912570
(2-methoxyphenyl)-[(2R)-2-(spiro[3,4-dihydroisochromene-1,4'-piperidine]-6-yloxymethyl)pyrrolidin-1-yl]methanone
CID 146041211
6-[(1-ethylpyrazol-4-yl)methoxy]-1'-(1H-imidazol-2-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]
CID 146046857
6-methylspiro[1H-2-benzofuran-3,4'-piperidine];hydrochloride
CID 69267820
6-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]
CID 82277020
4-[(4-fluorophenoxy)methyl]-2-methylphenol
CID 117220443
7-[(4-fluorophenyl)methoxy]spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine];hydrochloride
CID 23361058
6-[(3,4-difluorophenyl)methoxy]-3,4-dihydro-2H-isoquinolin-1-one
CID 69038466
3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylmethoxy)phenol
CID 59027955

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluoro-3-methylphenyl)methoxy]spiro[3,4-dihydroisochromene-1,4'-piperidine];hydrochloride?
The IUPAC name of 6-[(4-fluoro-3-methylphenyl)methoxy]spiro[3,4-dihydroisochromene-1,4'-piperidine];hydrochloride (CID 154919619) is 6-[(4-fluoro-3-methylphenyl)methoxy]spiro[3,4-dihydroisochromene-1,4'-piperidine];hydrochloride.
What is the SMILES notation for 6-[(4-fluoro-3-methylphenyl)methoxy]spiro[3,4-dihydroisochromene-1,4'-piperidine];hydrochloride?
The canonical SMILES for 6-[(4-fluoro-3-methylphenyl)methoxy]spiro[3,4-dihydroisochromene-1,4'-piperidine];hydrochloride is Cc1cc(COc2ccc3c(c2)CCOC32CCNCC2)ccc1F.Cl.
What is the InChIKey of 6-[(4-fluoro-3-methylphenyl)methoxy]spiro[3,4-dihydroisochromene-1,4'-piperidine];hydrochloride?
The InChIKey is ASWWGLDADSIRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO2.ClH/c1-15-12-16(2-5-20(15)22)14-24-18-3-4-19-17(13-18)6-11-25-21(19)7-9-23-10-8-21;/h2-5,12-13,23H,6-11,14H2,1H3;1H.
What are the key properties of 6-[(4-fluoro-3-methylphenyl)methoxy]spiro[3,4-dihydroisochromene-1,4'-piperidine];hydrochloride?
6-[(4-fluoro-3-methylphenyl)methoxy]spiro[3,4-dihydroisochromene-1,4'-piperidine];hydrochloride has a molecular weight of 377.89 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluoro-3-methylphenyl)methoxy]spiro[3,4-dihydroisochromene-1,4'-piperidine];hydrochloride is sourced from PubChem (CID 154919619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).