1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-4-ol

C14H19NOS — CID 79227966

IUPAC1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-4-ol
SMILESOC1CCN(CC2Cc3ccccc3S2)CC1
InChIInChI=1S/C14H19NOS/c16-12-5-7-15(8-6-12)10-13-9-11-3-1-2-4-14(11)17-13/h1-4,12-13,16H,5-10H2
InChIKeyPQXOULSDPNWNJA-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.16
Rot. Bonds2

About 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-4-ol

1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-4-ol (PubChem CID 79227966) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-4-ol
PubChem CID79227966
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-4-ol
SMILESOC1CCN(CC2Cc3ccccc3S2)CC1
InChIInChI=1S/C14H19NOS/c16-12-5-7-15(8-6-12)10-13-9-11-3-1-2-4-14(11)17-13/h1-4,12-13,16H,5-10H2
InChIKeyPQXOULSDPNWNJA-UHFFFAOYSA-N
XLogP2.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-4-ol?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-4-ol (CID 79227966) is 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-4-ol.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-4-ol?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-4-ol is OC1CCN(CC2Cc3ccccc3S2)CC1.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-4-ol?
The InChIKey is PQXOULSDPNWNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c16-12-5-7-15(8-6-12)10-13-9-11-3-1-2-4-14(11)17-13/h1-4,12-13,16H,5-10H2.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-4-ol?
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-4-ol has a molecular weight of 249.38 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 79227966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).