pyridin-2-yl-[1-(thiophen-2-ylmethyl)piperidin-4-yl]methanol

C16H20N2OS — CID 53193339

IUPACpyridin-2-yl-[1-(thiophen-2-ylmethyl)piperidin-4-yl]methanol
SMILESOC(c1ccccn1)C1CCN(Cc2cccs2)CC1
InChIInChI=1S/C16H20N2OS/c19-16(15-5-1-2-8-17-15)13-6-9-18(10-7-13)12-14-4-3-11-20-14/h1-5,8,11,13,16,19H,6-7,9-10,12H2
InChIKeyQKIBFTBMDLMUGK-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.09
Rot. Bonds4

About pyridin-2-yl-[1-(thiophen-2-ylmethyl)piperidin-4-yl]methanol

pyridin-2-yl-[1-(thiophen-2-ylmethyl)piperidin-4-yl]methanol (PubChem CID 53193339) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is pyridin-2-yl-[1-(thiophen-2-ylmethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Namepyridin-2-yl-[1-(thiophen-2-ylmethyl)piperidin-4-yl]methanol
PubChem CID53193339
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Namepyridin-2-yl-[1-(thiophen-2-ylmethyl)piperidin-4-yl]methanol
SMILESOC(c1ccccn1)C1CCN(Cc2cccs2)CC1
InChIInChI=1S/C16H20N2OS/c19-16(15-5-1-2-8-17-15)13-6-9-18(10-7-13)12-14-4-3-11-20-14/h1-5,8,11,13,16,19H,6-7,9-10,12H2
InChIKeyQKIBFTBMDLMUGK-UHFFFAOYSA-N
XLogP3.09
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl-[1-(thiophen-2-ylmethyl)piperidin-4-yl]methanol?
The IUPAC name of pyridin-2-yl-[1-(thiophen-2-ylmethyl)piperidin-4-yl]methanol (CID 53193339) is pyridin-2-yl-[1-(thiophen-2-ylmethyl)piperidin-4-yl]methanol.
What is the SMILES notation for pyridin-2-yl-[1-(thiophen-2-ylmethyl)piperidin-4-yl]methanol?
The canonical SMILES for pyridin-2-yl-[1-(thiophen-2-ylmethyl)piperidin-4-yl]methanol is OC(c1ccccn1)C1CCN(Cc2cccs2)CC1.
What is the InChIKey of pyridin-2-yl-[1-(thiophen-2-ylmethyl)piperidin-4-yl]methanol?
The InChIKey is QKIBFTBMDLMUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c19-16(15-5-1-2-8-17-15)13-6-9-18(10-7-13)12-14-4-3-11-20-14/h1-5,8,11,13,16,19H,6-7,9-10,12H2.
What are the key properties of pyridin-2-yl-[1-(thiophen-2-ylmethyl)piperidin-4-yl]methanol?
pyridin-2-yl-[1-(thiophen-2-ylmethyl)piperidin-4-yl]methanol has a molecular weight of 288.42 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl-[1-(thiophen-2-ylmethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 53193339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).