(1S)-1-(1-benzothiophen-2-yl)-5-methoxy-1-piperidin-2-ylpentan-1-ol

C19H27NO2S — CID 141142715

IUPAC(1S)-1-(1-benzothiophen-2-yl)-5-methoxy-1-piperidin-2-ylpentan-1-ol
SMILESCOCCCC[C@@](O)(c1cc2ccccc2s1)C1CCCCN1
InChIInChI=1S/C19H27NO2S/c1-22-13-7-5-11-19(21,17-10-4-6-12-20-17)18-14-15-8-2-3-9-16(15)23-18/h2-3,8-9,14,17,20-21H,4-7,10-13H2,1H3/t17?,19-/m0/s1
InChIKeyIJZYHNUIZQSMPK-NNBQYGFHSA-N
MW333.50 g/mol
LogP4.05
Rot. Bonds7

About (1S)-1-(1-benzothiophen-2-yl)-5-methoxy-1-piperidin-2-ylpentan-1-ol

(1S)-1-(1-benzothiophen-2-yl)-5-methoxy-1-piperidin-2-ylpentan-1-ol (PubChem CID 141142715) has the molecular formula C19H27NO2S and a molecular weight of 333.50 g/mol. Its IUPAC name is (1S)-1-(1-benzothiophen-2-yl)-5-methoxy-1-piperidin-2-ylpentan-1-ol.

Molecular Properties

Compound Name(1S)-1-(1-benzothiophen-2-yl)-5-methoxy-1-piperidin-2-ylpentan-1-ol
PubChem CID141142715
Molecular FormulaC19H27NO2S
Molecular Weight333.50 g/mol
Exact Mass333.18
IUPAC Name(1S)-1-(1-benzothiophen-2-yl)-5-methoxy-1-piperidin-2-ylpentan-1-ol
SMILESCOCCCC[C@@](O)(c1cc2ccccc2s1)C1CCCCN1
InChIInChI=1S/C19H27NO2S/c1-22-13-7-5-11-19(21,17-10-4-6-12-20-17)18-14-15-8-2-3-9-16(15)23-18/h2-3,8-9,14,17,20-21H,4-7,10-13H2,1H3/t17?,19-/m0/s1
InChIKeyIJZYHNUIZQSMPK-NNBQYGFHSA-N
XLogP4.05
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1-Benzothiophen-3-yl)-2-(piperidin-1-yl)ethan-1-ol--hydrogen chloride (1/1)
CID 23864
1-(1-Benzothiophen-3-yl)-2-(morpholin-4-yl)ethan-1-ol--hydrogen chloride (1/1)
CID 23869
2-Methyl-4-[4-(trifluoromethyl)-1-benzothiophen-2-yl]piperidin-4-ol
CID 21866062
(2R,4S)-2-methyl-4-[4-(trifluoromethyl)-1-benzothiophen-2-yl]piperidin-4-ol
CID 69556556
(2R,4R)-2-methyl-4-[4-(trifluoromethyl)-1-benzothiophen-2-yl]piperidin-4-ol
CID 69556559
1-(1-Benzothiophen-6-yl)-4-fluoro-2-(methylamino)butan-1-ol
CID 169866197
1-(1-Benzothiophen-6-yl)-2-(ethylamino)-3-fluoropropan-1-ol
CID 169866215
1-(1-Benzothiophen-6-yl)-2-(ethylamino)-4-fluorobutan-1-ol
CID 169866233
2-(1-Benzothiophen-6-yl)-4-fluoro-3-(methylamino)butan-2-ol
CID 169866357
2-(1-Benzothiophen-6-yl)-3-(ethylamino)-4-fluorobutan-2-ol
CID 169866390
3-(1-Benzothiophen-6-yl)-4-fluoro-2-(methylamino)butane-1,3-diol
CID 169866432
2-(1-Benzothiophen-6-yl)-1-fluoro-3-(methylamino)pentan-2-ol
CID 169866460

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-benzothiophen-2-yl)-5-methoxy-1-piperidin-2-ylpentan-1-ol?
The IUPAC name of (1S)-1-(1-benzothiophen-2-yl)-5-methoxy-1-piperidin-2-ylpentan-1-ol (CID 141142715) is (1S)-1-(1-benzothiophen-2-yl)-5-methoxy-1-piperidin-2-ylpentan-1-ol.
What is the SMILES notation for (1S)-1-(1-benzothiophen-2-yl)-5-methoxy-1-piperidin-2-ylpentan-1-ol?
The canonical SMILES for (1S)-1-(1-benzothiophen-2-yl)-5-methoxy-1-piperidin-2-ylpentan-1-ol is COCCCC[C@@](O)(c1cc2ccccc2s1)C1CCCCN1.
What is the InChIKey of (1S)-1-(1-benzothiophen-2-yl)-5-methoxy-1-piperidin-2-ylpentan-1-ol?
The InChIKey is IJZYHNUIZQSMPK-NNBQYGFHSA-N. The full InChI is InChI=1S/C19H27NO2S/c1-22-13-7-5-11-19(21,17-10-4-6-12-20-17)18-14-15-8-2-3-9-16(15)23-18/h2-3,8-9,14,17,20-21H,4-7,10-13H2,1H3/t17?,19-/m0/s1.
What are the key properties of (1S)-1-(1-benzothiophen-2-yl)-5-methoxy-1-piperidin-2-ylpentan-1-ol?
(1S)-1-(1-benzothiophen-2-yl)-5-methoxy-1-piperidin-2-ylpentan-1-ol has a molecular weight of 333.50 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-benzothiophen-2-yl)-5-methoxy-1-piperidin-2-ylpentan-1-ol is sourced from PubChem (CID 141142715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).