1,2-dimethyl-4-(6-methyl-1-benzothiophen-2-yl)piperidin-4-ol

C16H21NOS — CID 142071965

IUPAC1,2-dimethyl-4-(6-methyl-1-benzothiophen-2-yl)piperidin-4-ol
SMILESCc1ccc2cc(C3(O)CCN(C)C(C)C3)sc2c1
InChIInChI=1S/C16H21NOS/c1-11-4-5-13-9-15(19-14(13)8-11)16(18)6-7-17(3)12(2)10-16/h4-5,8-9,12,18H,6-7,10H2,1-3H3
InChIKeyQTLXDSZZOFKKAI-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.51
Rot. Bonds1

About 1,2-dimethyl-4-(6-methyl-1-benzothiophen-2-yl)piperidin-4-ol

1,2-dimethyl-4-(6-methyl-1-benzothiophen-2-yl)piperidin-4-ol (PubChem CID 142071965) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 1,2-dimethyl-4-(6-methyl-1-benzothiophen-2-yl)piperidin-4-ol.

Molecular Properties

Compound Name1,2-dimethyl-4-(6-methyl-1-benzothiophen-2-yl)piperidin-4-ol
PubChem CID142071965
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name1,2-dimethyl-4-(6-methyl-1-benzothiophen-2-yl)piperidin-4-ol
SMILESCc1ccc2cc(C3(O)CCN(C)C(C)C3)sc2c1
InChIInChI=1S/C16H21NOS/c1-11-4-5-13-9-15(19-14(13)8-11)16(18)6-7-17(3)12(2)10-16/h4-5,8-9,12,18H,6-7,10H2,1-3H3
InChIKeyQTLXDSZZOFKKAI-UHFFFAOYSA-N
XLogP3.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-(6-methyl-1-benzothiophen-2-yl)piperidin-4-ol?
The IUPAC name of 1,2-dimethyl-4-(6-methyl-1-benzothiophen-2-yl)piperidin-4-ol (CID 142071965) is 1,2-dimethyl-4-(6-methyl-1-benzothiophen-2-yl)piperidin-4-ol.
What is the SMILES notation for 1,2-dimethyl-4-(6-methyl-1-benzothiophen-2-yl)piperidin-4-ol?
The canonical SMILES for 1,2-dimethyl-4-(6-methyl-1-benzothiophen-2-yl)piperidin-4-ol is Cc1ccc2cc(C3(O)CCN(C)C(C)C3)sc2c1.
What is the InChIKey of 1,2-dimethyl-4-(6-methyl-1-benzothiophen-2-yl)piperidin-4-ol?
The InChIKey is QTLXDSZZOFKKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-11-4-5-13-9-15(19-14(13)8-11)16(18)6-7-17(3)12(2)10-16/h4-5,8-9,12,18H,6-7,10H2,1-3H3.
What are the key properties of 1,2-dimethyl-4-(6-methyl-1-benzothiophen-2-yl)piperidin-4-ol?
1,2-dimethyl-4-(6-methyl-1-benzothiophen-2-yl)piperidin-4-ol has a molecular weight of 275.42 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-(6-methyl-1-benzothiophen-2-yl)piperidin-4-ol is sourced from PubChem (CID 142071965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).