(1S)-5-methoxy-1-piperidin-3-yl-1-(2-trimethylsilyl-1-benzothiophen-4-yl)pentan-1-ol

C22H35NO2SSi — CID 67189286

IUPAC(1S)-5-methoxy-1-piperidin-3-yl-1-(2-trimethylsilyl-1-benzothiophen-4-yl)pentan-1-ol
SMILESCOCCCC[C@@](O)(c1cccc2sc([Si](C)(C)C)cc12)C1CCCNC1
InChIInChI=1S/C22H35NO2SSi/c1-25-14-6-5-12-22(24,17-9-8-13-23-16-17)19-10-7-11-20-18(19)15-21(26-20)27(2,3)4/h7,10-11,15,17,23-24H,5-6,8-9,12-14,16H2,1-4H3/t17?,22-/m0/s1
InChIKeyCALRSNDYEVOBQP-UGNFMNBCSA-N
MW405.68 g/mol
LogP4.45
Rot. Bonds8

About (1S)-5-methoxy-1-piperidin-3-yl-1-(2-trimethylsilyl-1-benzothiophen-4-yl)pentan-1-ol

(1S)-5-methoxy-1-piperidin-3-yl-1-(2-trimethylsilyl-1-benzothiophen-4-yl)pentan-1-ol (PubChem CID 67189286) has the molecular formula C22H35NO2SSi and a molecular weight of 405.68 g/mol. Its IUPAC name is (1S)-5-methoxy-1-piperidin-3-yl-1-(2-trimethylsilyl-1-benzothiophen-4-yl)pentan-1-ol.

Molecular Properties

Compound Name(1S)-5-methoxy-1-piperidin-3-yl-1-(2-trimethylsilyl-1-benzothiophen-4-yl)pentan-1-ol
PubChem CID67189286
Molecular FormulaC22H35NO2SSi
Molecular Weight405.68 g/mol
Exact Mass405.22
IUPAC Name(1S)-5-methoxy-1-piperidin-3-yl-1-(2-trimethylsilyl-1-benzothiophen-4-yl)pentan-1-ol
SMILESCOCCCC[C@@](O)(c1cccc2sc([Si](C)(C)C)cc12)C1CCCNC1
InChIInChI=1S/C22H35NO2SSi/c1-25-14-6-5-12-22(24,17-9-8-13-23-16-17)19-10-7-11-20-18(19)15-21(26-20)27(2,3)4/h7,10-11,15,17,23-24H,5-6,8-9,12-14,16H2,1-4H3/t17?,22-/m0/s1
InChIKeyCALRSNDYEVOBQP-UGNFMNBCSA-N
XLogP4.45
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.68
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(1-benzothiophen-2-yl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol
CID 59382913
(1S)-1-(2-fluoro-3-methylphenyl)-5-methoxy-1-piperidin-3-ylpentan-1-ol
CID 67193967
(1S)-5-methoxy-1-[3-methyl-2-(2-methylphenoxy)phenyl]-1-[(3R)-piperidin-3-yl]pentan-1-ol
CID 67190101
1-[2-(2-cyclopropylethoxy)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol
CID 67194013
1-[2-(2,2-dimethylpropoxy)phenyl]-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol
CID 68849093
(1R)-1-[2-(2,2-dimethylpropoxy)phenyl]-5-methoxy-1-[(3S)-piperidin-3-yl]pentan-1-ol
CID 68992484
(1S)-1-[3-fluoro-2-(3-methylphenyl)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol
CID 67191148
(1S)-1-[2-(2-chlorophenyl)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol
CID 141142747
(1S)-1-(3-ethylphenyl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol
CID 67188318
(1S)-5-methoxy-1-[(3R)-piperidin-3-yl]-1-[2-[3-(trifluoromethyl)phenyl]phenyl]pentan-1-ol
CID 71163984
(1S)-5-methoxy-1-[3-methyl-2-(2-methylphenoxy)phenyl]-1-[(3R)-piperidin-3-yl]pentan-1-ol;(1S)-5-methoxy-1-[5-methyl-2-(4-methylphenoxy)phenyl]-1-[(3R)-piperidin-3-yl]pentan-1-ol
CID 162263119
(1S)-1-[2-(4-fluoro-2-methylphenoxy)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol
CID 67191338

Frequently Asked Questions

What is the IUPAC name of (1S)-5-methoxy-1-piperidin-3-yl-1-(2-trimethylsilyl-1-benzothiophen-4-yl)pentan-1-ol?
The IUPAC name of (1S)-5-methoxy-1-piperidin-3-yl-1-(2-trimethylsilyl-1-benzothiophen-4-yl)pentan-1-ol (CID 67189286) is (1S)-5-methoxy-1-piperidin-3-yl-1-(2-trimethylsilyl-1-benzothiophen-4-yl)pentan-1-ol.
What is the SMILES notation for (1S)-5-methoxy-1-piperidin-3-yl-1-(2-trimethylsilyl-1-benzothiophen-4-yl)pentan-1-ol?
The canonical SMILES for (1S)-5-methoxy-1-piperidin-3-yl-1-(2-trimethylsilyl-1-benzothiophen-4-yl)pentan-1-ol is COCCCC[C@@](O)(c1cccc2sc([Si](C)(C)C)cc12)C1CCCNC1.
What is the InChIKey of (1S)-5-methoxy-1-piperidin-3-yl-1-(2-trimethylsilyl-1-benzothiophen-4-yl)pentan-1-ol?
The InChIKey is CALRSNDYEVOBQP-UGNFMNBCSA-N. The full InChI is InChI=1S/C22H35NO2SSi/c1-25-14-6-5-12-22(24,17-9-8-13-23-16-17)19-10-7-11-20-18(19)15-21(26-20)27(2,3)4/h7,10-11,15,17,23-24H,5-6,8-9,12-14,16H2,1-4H3/t17?,22-/m0/s1.
What are the key properties of (1S)-5-methoxy-1-piperidin-3-yl-1-(2-trimethylsilyl-1-benzothiophen-4-yl)pentan-1-ol?
(1S)-5-methoxy-1-piperidin-3-yl-1-(2-trimethylsilyl-1-benzothiophen-4-yl)pentan-1-ol has a molecular weight of 405.68 g/mol, XLogP of 4.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-methoxy-1-piperidin-3-yl-1-(2-trimethylsilyl-1-benzothiophen-4-yl)pentan-1-ol is sourced from PubChem (CID 67189286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).