2-methyl-1-(3-thiophen-3-ylpropyl)piperidin-4-ol

C13H21NOS — CID 155302654

IUPAC2-methyl-1-(3-thiophen-3-ylpropyl)piperidin-4-ol
SMILESCC1CC(O)CCN1CCCc1ccsc1
InChIInChI=1S/C13H21NOS/c1-11-9-13(15)4-7-14(11)6-2-3-12-5-8-16-10-12/h5,8,10-11,13,15H,2-4,6-7,9H2,1H3
InChIKeyILOMSXDGHUYHTI-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.53
Rot. Bonds4

About 2-methyl-1-(3-thiophen-3-ylpropyl)piperidin-4-ol

2-methyl-1-(3-thiophen-3-ylpropyl)piperidin-4-ol (PubChem CID 155302654) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 2-methyl-1-(3-thiophen-3-ylpropyl)piperidin-4-ol.

Molecular Properties

Compound Name2-methyl-1-(3-thiophen-3-ylpropyl)piperidin-4-ol
PubChem CID155302654
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name2-methyl-1-(3-thiophen-3-ylpropyl)piperidin-4-ol
SMILESCC1CC(O)CCN1CCCc1ccsc1
InChIInChI=1S/C13H21NOS/c1-11-9-13(15)4-7-14(11)6-2-3-12-5-8-16-10-12/h5,8,10-11,13,15H,2-4,6-7,9H2,1H3
InChIKeyILOMSXDGHUYHTI-UHFFFAOYSA-N
XLogP2.53
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-thiophen-3-ylpropyl)piperidin-4-ol?
The IUPAC name of 2-methyl-1-(3-thiophen-3-ylpropyl)piperidin-4-ol (CID 155302654) is 2-methyl-1-(3-thiophen-3-ylpropyl)piperidin-4-ol.
What is the SMILES notation for 2-methyl-1-(3-thiophen-3-ylpropyl)piperidin-4-ol?
The canonical SMILES for 2-methyl-1-(3-thiophen-3-ylpropyl)piperidin-4-ol is CC1CC(O)CCN1CCCc1ccsc1.
What is the InChIKey of 2-methyl-1-(3-thiophen-3-ylpropyl)piperidin-4-ol?
The InChIKey is ILOMSXDGHUYHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-11-9-13(15)4-7-14(11)6-2-3-12-5-8-16-10-12/h5,8,10-11,13,15H,2-4,6-7,9H2,1H3.
What are the key properties of 2-methyl-1-(3-thiophen-3-ylpropyl)piperidin-4-ol?
2-methyl-1-(3-thiophen-3-ylpropyl)piperidin-4-ol has a molecular weight of 239.38 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-thiophen-3-ylpropyl)piperidin-4-ol is sourced from PubChem (CID 155302654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).