[1-[5-chloro-3-(3-methylsulfonylphenyl)-2-pyridinyl]piperidin-2-yl]methanol

C18H21ClN2O3S — CID 19594574

IUPAC[1-[5-chloro-3-(3-methylsulfonylphenyl)-2-pyridinyl]piperidin-2-yl]methanol
SMILESCS(=O)(=O)c1cccc(-c2cc(Cl)cnc2N2CCCCC2CO)c1
InChIInChI=1S/C18H21ClN2O3S/c1-25(23,24)16-7-4-5-13(9-16)17-10-14(19)11-20-18(17)21-8-3-2-6-15(21)12-22/h4-5,7,9-11,15,22H,2-3,6,8,12H2,1H3
InChIKeySITZFLGFJNKSGA-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.16
Rot. Bonds4

About [1-[5-chloro-3-(3-methylsulfonylphenyl)-2-pyridinyl]piperidin-2-yl]methanol

[1-[5-chloro-3-(3-methylsulfonylphenyl)-2-pyridinyl]piperidin-2-yl]methanol (PubChem CID 19594574) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is [1-[5-chloro-3-(3-methylsulfonylphenyl)-2-pyridinyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[5-chloro-3-(3-methylsulfonylphenyl)-2-pyridinyl]piperidin-2-yl]methanol
PubChem CID19594574
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name[1-[5-chloro-3-(3-methylsulfonylphenyl)-2-pyridinyl]piperidin-2-yl]methanol
SMILESCS(=O)(=O)c1cccc(-c2cc(Cl)cnc2N2CCCCC2CO)c1
InChIInChI=1S/C18H21ClN2O3S/c1-25(23,24)16-7-4-5-13(9-16)17-10-14(19)11-20-18(17)21-8-3-2-6-15(21)12-22/h4-5,7,9-11,15,22H,2-3,6,8,12H2,1H3
InChIKeySITZFLGFJNKSGA-UHFFFAOYSA-N
XLogP3.16
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[5-chloro-3-(3-methylsulfonylphenyl)-2-pyridinyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[5-chloro-3-(3-methylsulfonylphenyl)-2-pyridinyl]piperidin-2-yl]methanol (CID 19594574) is [1-[5-chloro-3-(3-methylsulfonylphenyl)-2-pyridinyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[5-chloro-3-(3-methylsulfonylphenyl)-2-pyridinyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[5-chloro-3-(3-methylsulfonylphenyl)-2-pyridinyl]piperidin-2-yl]methanol is CS(=O)(=O)c1cccc(-c2cc(Cl)cnc2N2CCCCC2CO)c1.
What is the InChIKey of [1-[5-chloro-3-(3-methylsulfonylphenyl)-2-pyridinyl]piperidin-2-yl]methanol?
The InChIKey is SITZFLGFJNKSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-25(23,24)16-7-4-5-13(9-16)17-10-14(19)11-20-18(17)21-8-3-2-6-15(21)12-22/h4-5,7,9-11,15,22H,2-3,6,8,12H2,1H3.
What are the key properties of [1-[5-chloro-3-(3-methylsulfonylphenyl)-2-pyridinyl]piperidin-2-yl]methanol?
[1-[5-chloro-3-(3-methylsulfonylphenyl)-2-pyridinyl]piperidin-2-yl]methanol has a molecular weight of 380.90 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-chloro-3-(3-methylsulfonylphenyl)-2-pyridinyl]piperidin-2-yl]methanol is sourced from PubChem (CID 19594574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).