2-(3-chlorophenyl)-5-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine

C21H23ClN4 — CID 118740001

IUPAC2-(3-chlorophenyl)-5-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine
SMILESCn1cc(CN2CCCCC2c2ccc(-c3cccc(Cl)c3)nc2)cn1
InChIInChI=1S/C21H23ClN4/c1-25-14-16(12-24-25)15-26-10-3-2-7-21(26)18-8-9-20(23-13-18)17-5-4-6-19(22)11-17/h4-6,8-9,11-14,21H,2-3,7,10,15H2,1H3
InChIKeySXZBDQODHWGDST-UHFFFAOYSA-N
MW366.90 g/mol
LogP4.86
Rot. Bonds4

About 2-(3-chlorophenyl)-5-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine

2-(3-chlorophenyl)-5-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine (PubChem CID 118740001) has the molecular formula C21H23ClN4 and a molecular weight of 366.90 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine
PubChem CID118740001
Molecular FormulaC21H23ClN4
Molecular Weight366.90 g/mol
Exact Mass366.16
IUPAC Name2-(3-chlorophenyl)-5-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine
SMILESCn1cc(CN2CCCCC2c2ccc(-c3cccc(Cl)c3)nc2)cn1
InChIInChI=1S/C21H23ClN4/c1-25-14-16(12-24-25)15-26-10-3-2-7-21(26)18-8-9-20(23-13-18)17-5-4-6-19(22)11-17/h4-6,8-9,11-14,21H,2-3,7,10,15H2,1H3
InChIKeySXZBDQODHWGDST-UHFFFAOYSA-N
XLogP4.86
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.90
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine?
The IUPAC name of 2-(3-chlorophenyl)-5-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine (CID 118740001) is 2-(3-chlorophenyl)-5-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine.
What is the SMILES notation for 2-(3-chlorophenyl)-5-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine?
The canonical SMILES for 2-(3-chlorophenyl)-5-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine is Cn1cc(CN2CCCCC2c2ccc(-c3cccc(Cl)c3)nc2)cn1.
What is the InChIKey of 2-(3-chlorophenyl)-5-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine?
The InChIKey is SXZBDQODHWGDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4/c1-25-14-16(12-24-25)15-26-10-3-2-7-21(26)18-8-9-20(23-13-18)17-5-4-6-19(22)11-17/h4-6,8-9,11-14,21H,2-3,7,10,15H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-5-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine?
2-(3-chlorophenyl)-5-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine has a molecular weight of 366.90 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine is sourced from PubChem (CID 118740001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).