1-[1-(1-benzothiophen-3-ylmethyl)piperidin-2-yl]propan-2-ol

C17H23NOS — CID 114337925

IUPAC1-[1-(1-benzothiophen-3-ylmethyl)piperidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCCN1Cc1csc2ccccc12
InChIInChI=1S/C17H23NOS/c1-13(19)10-15-6-4-5-9-18(15)11-14-12-20-17-8-3-2-7-16(14)17/h2-3,7-8,12-13,15,19H,4-6,9-11H2,1H3
InChIKeyKXXKGLNJCKNMII-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.03
Rot. Bonds4

About 1-[1-(1-benzothiophen-3-ylmethyl)piperidin-2-yl]propan-2-ol

1-[1-(1-benzothiophen-3-ylmethyl)piperidin-2-yl]propan-2-ol (PubChem CID 114337925) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is 1-[1-(1-benzothiophen-3-ylmethyl)piperidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-(1-benzothiophen-3-ylmethyl)piperidin-2-yl]propan-2-ol
PubChem CID114337925
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC Name1-[1-(1-benzothiophen-3-ylmethyl)piperidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCCN1Cc1csc2ccccc12
InChIInChI=1S/C17H23NOS/c1-13(19)10-15-6-4-5-9-18(15)11-14-12-20-17-8-3-2-7-16(14)17/h2-3,7-8,12-13,15,19H,4-6,9-11H2,1H3
InChIKeyKXXKGLNJCKNMII-UHFFFAOYSA-N
XLogP4.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(1-benzothiophen-3-ylmethyl)azepan-2-yl]propan-2-ol
CID 114338668
1-[1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]propan-2-ol
CID 115758703
1-[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 113321883
[1-(1-benzothiophen-3-ylmethyl)-4-methoxypiperidin-2-yl]methanamine
CID 115963060
1-(1-benzothiophen-3-yl)propan-2-ol
CID 63738111
(3S)-1-(1-benzothiophen-3-ylmethyl)-3-propan-2-ylpiperidine
CID 66807220
[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methyl N-(1-benzothiophen-3-ylmethyl)carbamate
CID 6736865
1-(1-benzothiophen-3-ylmethyl)piperidine chloride
CID 53347465
1-[1-[(5-bromothiophen-2-yl)methyl]azepan-2-yl]propan-2-ol
CID 114338850
1-[1-(1,3-benzothiazol-2-ylmethyl)pyrrolidin-2-yl]propan-2-ol
CID 115758778
2-(1-benzothiophen-3-yl)-1-cyclooctylethanone
CID 80602136
1-[1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-2-yl]propan-2-ol
CID 114338047

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-benzothiophen-3-ylmethyl)piperidin-2-yl]propan-2-ol?
The IUPAC name of 1-[1-(1-benzothiophen-3-ylmethyl)piperidin-2-yl]propan-2-ol (CID 114337925) is 1-[1-(1-benzothiophen-3-ylmethyl)piperidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-(1-benzothiophen-3-ylmethyl)piperidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-(1-benzothiophen-3-ylmethyl)piperidin-2-yl]propan-2-ol is CC(O)CC1CCCCN1Cc1csc2ccccc12.
What is the InChIKey of 1-[1-(1-benzothiophen-3-ylmethyl)piperidin-2-yl]propan-2-ol?
The InChIKey is KXXKGLNJCKNMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-13(19)10-15-6-4-5-9-18(15)11-14-12-20-17-8-3-2-7-16(14)17/h2-3,7-8,12-13,15,19H,4-6,9-11H2,1H3.
What are the key properties of 1-[1-(1-benzothiophen-3-ylmethyl)piperidin-2-yl]propan-2-ol?
1-[1-(1-benzothiophen-3-ylmethyl)piperidin-2-yl]propan-2-ol has a molecular weight of 289.44 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-benzothiophen-3-ylmethyl)piperidin-2-yl]propan-2-ol is sourced from PubChem (CID 114337925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).