7-fluoro-3-methylspiro[2H-chromeno[4,3-c]pyrazole-4,4'-piperidine];dihydrochloride

C15H18Cl2FN3O — CID 67467441

IUPAC7-fluoro-3-methylspiro[2H-chromeno[4,3-c]pyrazole-4,4'-piperidine];dihydrochloride
SMILESCc1[nH]nc2c1C1(CCNCC1)Oc1cc(F)ccc1-2.Cl.Cl
InChIInChI=1S/C15H16FN3O.2ClH/c1-9-13-14(19-18-9)11-3-2-10(16)8-12(11)20-15(13)4-6-17-7-5-15;;/h2-3,8,17H,4-7H2,1H3,(H,18,19);2*1H
InChIKeyUNYMGRJTKYAQLQ-UHFFFAOYSA-N
MW346.23 g/mol
LogP3.34
Rot. Bonds

About 7-fluoro-3-methylspiro[2H-chromeno[4,3-c]pyrazole-4,4'-piperidine];dihydrochloride

7-fluoro-3-methylspiro[2H-chromeno[4,3-c]pyrazole-4,4'-piperidine];dihydrochloride (PubChem CID 67467441) has the molecular formula C15H18Cl2FN3O and a molecular weight of 346.23 g/mol. Its IUPAC name is 7-fluoro-3-methylspiro[2H-chromeno[4,3-c]pyrazole-4,4'-piperidine];dihydrochloride.

Molecular Properties

Compound Name7-fluoro-3-methylspiro[2H-chromeno[4,3-c]pyrazole-4,4'-piperidine];dihydrochloride
PubChem CID67467441
Molecular FormulaC15H18Cl2FN3O
Molecular Weight346.23 g/mol
Exact Mass345.08
IUPAC Name7-fluoro-3-methylspiro[2H-chromeno[4,3-c]pyrazole-4,4'-piperidine];dihydrochloride
SMILESCc1[nH]nc2c1C1(CCNCC1)Oc1cc(F)ccc1-2.Cl.Cl
InChIInChI=1S/C15H16FN3O.2ClH/c1-9-13-14(19-18-9)11-3-2-10(16)8-12(11)20-15(13)4-6-17-7-5-15;;/h2-3,8,17H,4-7H2,1H3,(H,18,19);2*1H
InChIKeyUNYMGRJTKYAQLQ-UHFFFAOYSA-N
XLogP3.34
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluorospiro[1-benzofuran-2,1'-cyclopropane]-3-one
CID 58082962
(4-bromo-3-methylphenyl)-(9-methylspiro[2H-chromeno[4,3-c]pyrazole-4,4'-piperidine]-3-yl)methanone
CID 123870347
5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine]
CID 57459631
5-(3-fluoro-4-methylphenyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 139378991
5-fluorospiro[3H-1-benzofuran-2,4'-piperidine];hydrochloride
CID 68958919
tert-butyl 6-fluoro-3-methylspiro[2H-chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carboxylate
CID 178145372
6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride
CID 68663303
(4S)-7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104951801
7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 82389200
4-fluoro-4-(4-fluorophenyl)piperidine;hydrochloride
CID 67540826
7-fluorospiro[4H-1,4-benzoxazine-2,1'-cyclobutane]-3-one
CID 115097478
N-(2-chloro-4-fluorophenyl)-7-iodo-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide
CID 69194500

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-methylspiro[2H-chromeno[4,3-c]pyrazole-4,4'-piperidine];dihydrochloride?
The IUPAC name of 7-fluoro-3-methylspiro[2H-chromeno[4,3-c]pyrazole-4,4'-piperidine];dihydrochloride (CID 67467441) is 7-fluoro-3-methylspiro[2H-chromeno[4,3-c]pyrazole-4,4'-piperidine];dihydrochloride.
What is the SMILES notation for 7-fluoro-3-methylspiro[2H-chromeno[4,3-c]pyrazole-4,4'-piperidine];dihydrochloride?
The canonical SMILES for 7-fluoro-3-methylspiro[2H-chromeno[4,3-c]pyrazole-4,4'-piperidine];dihydrochloride is Cc1[nH]nc2c1C1(CCNCC1)Oc1cc(F)ccc1-2.Cl.Cl.
What is the InChIKey of 7-fluoro-3-methylspiro[2H-chromeno[4,3-c]pyrazole-4,4'-piperidine];dihydrochloride?
The InChIKey is UNYMGRJTKYAQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O.2ClH/c1-9-13-14(19-18-9)11-3-2-10(16)8-12(11)20-15(13)4-6-17-7-5-15;;/h2-3,8,17H,4-7H2,1H3,(H,18,19);2*1H.
What are the key properties of 7-fluoro-3-methylspiro[2H-chromeno[4,3-c]pyrazole-4,4'-piperidine];dihydrochloride?
7-fluoro-3-methylspiro[2H-chromeno[4,3-c]pyrazole-4,4'-piperidine];dihydrochloride has a molecular weight of 346.23 g/mol, XLogP of 3.34, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-methylspiro[2H-chromeno[4,3-c]pyrazole-4,4'-piperidine];dihydrochloride is sourced from PubChem (CID 67467441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).