4-[(5-chloro-2-pyridinyl)sulfanylmethyl]piperidin-4-ol

C11H15ClN2OS — CID 81042915

IUPAC4-[(5-chloro-2-pyridinyl)sulfanylmethyl]piperidin-4-ol
SMILESOC1(CSc2ccc(Cl)cn2)CCNCC1
InChIInChI=1S/C11H15ClN2OS/c12-9-1-2-10(14-7-9)16-8-11(15)3-5-13-6-4-11/h1-2,7,13,15H,3-6,8H2
InChIKeyZMRDYVVADIYBSC-UHFFFAOYSA-N
MW258.77 g/mol
LogP1.94
Rot. Bonds3

About 4-[(5-chloro-2-pyridinyl)sulfanylmethyl]piperidin-4-ol

4-[(5-chloro-2-pyridinyl)sulfanylmethyl]piperidin-4-ol (PubChem CID 81042915) has the molecular formula C11H15ClN2OS and a molecular weight of 258.77 g/mol. Its IUPAC name is 4-[(5-chloro-2-pyridinyl)sulfanylmethyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[(5-chloro-2-pyridinyl)sulfanylmethyl]piperidin-4-ol
PubChem CID81042915
Molecular FormulaC11H15ClN2OS
Molecular Weight258.77 g/mol
Exact Mass258.06
IUPAC Name4-[(5-chloro-2-pyridinyl)sulfanylmethyl]piperidin-4-ol
SMILESOC1(CSc2ccc(Cl)cn2)CCNCC1
InChIInChI=1S/C11H15ClN2OS/c12-9-1-2-10(14-7-9)16-8-11(15)3-5-13-6-4-11/h1-2,7,13,15H,3-6,8H2
InChIKeyZMRDYVVADIYBSC-UHFFFAOYSA-N
XLogP1.94
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-pyridinyl)sulfanylmethyl]piperidin-4-ol?
The IUPAC name of 4-[(5-chloro-2-pyridinyl)sulfanylmethyl]piperidin-4-ol (CID 81042915) is 4-[(5-chloro-2-pyridinyl)sulfanylmethyl]piperidin-4-ol.
What is the SMILES notation for 4-[(5-chloro-2-pyridinyl)sulfanylmethyl]piperidin-4-ol?
The canonical SMILES for 4-[(5-chloro-2-pyridinyl)sulfanylmethyl]piperidin-4-ol is OC1(CSc2ccc(Cl)cn2)CCNCC1.
What is the InChIKey of 4-[(5-chloro-2-pyridinyl)sulfanylmethyl]piperidin-4-ol?
The InChIKey is ZMRDYVVADIYBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2OS/c12-9-1-2-10(14-7-9)16-8-11(15)3-5-13-6-4-11/h1-2,7,13,15H,3-6,8H2.
What are the key properties of 4-[(5-chloro-2-pyridinyl)sulfanylmethyl]piperidin-4-ol?
4-[(5-chloro-2-pyridinyl)sulfanylmethyl]piperidin-4-ol has a molecular weight of 258.77 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-pyridinyl)sulfanylmethyl]piperidin-4-ol is sourced from PubChem (CID 81042915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).