1-(1-benzothiophen-3-yl)-2-piperidin-3-ylpropan-2-ol

C16H21NOS — CID 65145479

IUPAC1-(1-benzothiophen-3-yl)-2-piperidin-3-ylpropan-2-ol
SMILESCC(O)(Cc1csc2ccccc12)C1CCCNC1
InChIInChI=1S/C16H21NOS/c1-16(18,13-5-4-8-17-10-13)9-12-11-19-15-7-3-2-6-14(12)15/h2-3,6-7,11,13,17-18H,4-5,8-10H2,1H3
InChIKeyRPDJENLGBCRQTJ-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.19
Rot. Bonds3

About 1-(1-benzothiophen-3-yl)-2-piperidin-3-ylpropan-2-ol

1-(1-benzothiophen-3-yl)-2-piperidin-3-ylpropan-2-ol (PubChem CID 65145479) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-2-piperidin-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-2-piperidin-3-ylpropan-2-ol
PubChem CID65145479
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name1-(1-benzothiophen-3-yl)-2-piperidin-3-ylpropan-2-ol
SMILESCC(O)(Cc1csc2ccccc12)C1CCCNC1
InChIInChI=1S/C16H21NOS/c1-16(18,13-5-4-8-17-10-13)9-12-11-19-15-7-3-2-6-14(12)15/h2-3,6-7,11,13,17-18H,4-5,8-10H2,1H3
InChIKeyRPDJENLGBCRQTJ-UHFFFAOYSA-N
XLogP3.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-(1-benzothiophen-3-yl)propan-2-ol
CID 68846114
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CID 114795042
3-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]-1-benzothiophene
CID 115927214
1-(2-chloro-4-methylphenyl)-2-piperidin-3-ylpropan-2-ol
CID 106866125
3-(1-benzothiophen-3-ylmethoxy)pyrrolidine
CID 63737908
1-(5-chloro-2-methoxyphenyl)-2-piperidin-3-ylpropan-2-ol
CID 65145742
1-(5-ethyl-2-pyridinyl)-2-piperidin-3-ylpropan-2-ol
CID 79739290
4-[1-(1-benzothiophen-3-yl)-2-hydroxypropan-2-yl]benzonitrile
CID 115481651
2-piperidin-3-ylbutan-2-ol
CID 63586087
(2S)-2-[(3R)-piperidin-3-yl]propane-1,2-diol
CID 171842996
3-(3-bromo-2,2-dimethylpropyl)-1-benzothiophene
CID 66048185
1-(azepan-2-yl)-2-(1-benzothiophen-3-yl)ethanone
CID 116582553

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-2-piperidin-3-ylpropan-2-ol?
The IUPAC name of 1-(1-benzothiophen-3-yl)-2-piperidin-3-ylpropan-2-ol (CID 65145479) is 1-(1-benzothiophen-3-yl)-2-piperidin-3-ylpropan-2-ol.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-2-piperidin-3-ylpropan-2-ol?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-2-piperidin-3-ylpropan-2-ol is CC(O)(Cc1csc2ccccc12)C1CCCNC1.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-2-piperidin-3-ylpropan-2-ol?
The InChIKey is RPDJENLGBCRQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-16(18,13-5-4-8-17-10-13)9-12-11-19-15-7-3-2-6-14(12)15/h2-3,6-7,11,13,17-18H,4-5,8-10H2,1H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-2-piperidin-3-ylpropan-2-ol?
1-(1-benzothiophen-3-yl)-2-piperidin-3-ylpropan-2-ol has a molecular weight of 275.42 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-2-piperidin-3-ylpropan-2-ol is sourced from PubChem (CID 65145479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).