1'-benzyl-2-chloro-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

C19H22ClNO2S — CID 25164279

IUPAC1'-benzyl-2-chloro-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESCOC1Cc2sc(Cl)cc2C2(CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C19H22ClNO2S/c1-22-18-12-16-15(11-17(20)24-16)19(23-18)7-9-21(10-8-19)13-14-5-3-2-4-6-14/h2-6,11,18H,7-10,12-13H2,1H3
InChIKeyNEODMSXUPRXVQZ-UHFFFAOYSA-N
MW363.91 g/mol
LogP4.44
Rot. Bonds3

About 1'-benzyl-2-chloro-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

1'-benzyl-2-chloro-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (PubChem CID 25164279) has the molecular formula C19H22ClNO2S and a molecular weight of 363.91 g/mol. Its IUPAC name is 1'-benzyl-2-chloro-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].

Molecular Properties

Compound Name1'-benzyl-2-chloro-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
PubChem CID25164279
Molecular FormulaC19H22ClNO2S
Molecular Weight363.91 g/mol
Exact Mass363.11
IUPAC Name1'-benzyl-2-chloro-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESCOC1Cc2sc(Cl)cc2C2(CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C19H22ClNO2S/c1-22-18-12-16-15(11-17(20)24-16)19(23-18)7-9-21(10-8-19)13-14-5-3-2-4-6-14/h2-6,11,18H,7-10,12-13H2,1H3
InChIKeyNEODMSXUPRXVQZ-UHFFFAOYSA-N
XLogP4.44
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.91
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1'-benzyl-2-chloro-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Benzyl-6-methoxy-6,7-dihydrospiro[piperidine-4,4-thieno[3.2-c]pyran]
CID 25129510
1-(4-Fluorobenzyl)-6-methoxy-6,7-dihydrospiro[piperidine-4,4-thieno[3.2-c]pyran]
CID 25129862
6-Methoxy-1-(3-methylbut-2-enyl)-6,7-dihydrospiro[piperidine-4,4-thieno[3.2-c]pyran]
CID 25129863
1-(Cyclohexylmethyl)-6-methoxy-6,7-dihydrospiro[piperidine-4,4-thieno[3.2c]pyran]
CID 25129867
(6R)-1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 49798740
(6R)-1'-(cyclohexylmethyl)-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 49798743
(6R)-6-methoxy-1'-(3-methylbut-2-enyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 49798744
1'-Benzyl-6-methoxyspiro[6,7-dihydrothieno[3,4-c]pyran-4,4'-piperidine]
CID 56651523
1'-Benzyl-6-methoxy-1-phenylspiro[6,7-dihydrothieno[3,4-c]pyran-4,4'-piperidine]
CID 56652221
6-Methoxy-1-pentyl-6,7-dihydrospiro[piperidine-4,4-thieno[3.2-c]pyran]
CID 25129864
6-Methoxy-1-(2-phenylethyl)-6,7-dihydrospiro[piperidine-4,4-thieno[3.2-c]pyrane]
CID 25129866
3-Methoxy-1-(4-phenylbutyl)-6,7-dihydrospiro[piperidine-4,4-thieno[3.2-c]pyran]
CID 25130221

Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-2-chloro-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The IUPAC name of 1'-benzyl-2-chloro-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (CID 25164279) is 1'-benzyl-2-chloro-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].
What is the SMILES notation for 1'-benzyl-2-chloro-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The canonical SMILES for 1'-benzyl-2-chloro-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is COC1Cc2sc(Cl)cc2C2(CCN(Cc3ccccc3)CC2)O1.
What is the InChIKey of 1'-benzyl-2-chloro-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The InChIKey is NEODMSXUPRXVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2S/c1-22-18-12-16-15(11-17(20)24-16)19(23-18)7-9-21(10-8-19)13-14-5-3-2-4-6-14/h2-6,11,18H,7-10,12-13H2,1H3.
What are the key properties of 1'-benzyl-2-chloro-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
1'-benzyl-2-chloro-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] has a molecular weight of 363.91 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-2-chloro-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is sourced from PubChem (CID 25164279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).