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

C21H23ClN4 — CID 95880993

IUPAC3-[(2R)-1-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-2-yl]pyridine
SMILESCn1cc(CN2CCCC[C@@H]2c2cccnc2)c(-c2cccc(Cl)c2)n1
InChIInChI=1S/C21H23ClN4/c1-25-14-18(21(24-25)16-6-4-8-19(22)12-16)15-26-11-3-2-9-20(26)17-7-5-10-23-13-17/h4-8,10,12-14,20H,2-3,9,11,15H2,1H3/t20-/m1/s1
InChIKeyDIVMHKACFPQCDU-HXUWFJFHSA-N
MW366.90 g/mol
LogP4.86
Rot. Bonds4

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

3-[(2R)-1-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-2-yl]pyridine (PubChem CID 95880993) has the molecular formula C21H23ClN4 and a molecular weight of 366.90 g/mol. Its IUPAC name is 3-[(2R)-1-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-2-yl]pyridine.

Molecular Properties

Compound Name3-[(2R)-1-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-2-yl]pyridine
PubChem CID95880993
Molecular FormulaC21H23ClN4
Molecular Weight366.90 g/mol
Exact Mass366.16
IUPAC Name3-[(2R)-1-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-2-yl]pyridine
SMILESCn1cc(CN2CCCC[C@@H]2c2cccnc2)c(-c2cccc(Cl)c2)n1
InChIInChI=1S/C21H23ClN4/c1-25-14-18(21(24-25)16-6-4-8-19(22)12-16)15-26-11-3-2-9-20(26)17-7-5-10-23-13-17/h4-8,10,12-14,20H,2-3,9,11,15H2,1H3/t20-/m1/s1
InChIKeyDIVMHKACFPQCDU-HXUWFJFHSA-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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Related Compounds

3-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine
CID 872932
3-[(2R)-1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]pyridine
CID 40501419
3-[1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]pyridine
CID 77085482
3-[(2R)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 872916
(2S)-2-(4-chlorophenyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]azepane
CID 92878029
3-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 872941
N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine
CID 79484639
3-[(2S)-1-(1,3-benzodioxol-5-ylmethyl)piperidin-2-yl]pyridine
CID 838789
2,4-diiodo-6-[(2-pyridin-3-ylpiperidin-1-yl)methyl]phenol
CID 2857406
(2S)-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]propan-2-ol
CID 6540981
3-phenyl-5-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,2-oxazole
CID 99959800
3-(1-pentylpiperidin-2-yl)pyridine;hydrochloride
CID 171315964

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-2-yl]pyridine?
The IUPAC name of 3-[(2R)-1-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-2-yl]pyridine (CID 95880993) is 3-[(2R)-1-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-2-yl]pyridine.
What is the SMILES notation for 3-[(2R)-1-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-2-yl]pyridine?
The canonical SMILES for 3-[(2R)-1-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-2-yl]pyridine is Cn1cc(CN2CCCC[C@@H]2c2cccnc2)c(-c2cccc(Cl)c2)n1.
What is the InChIKey of 3-[(2R)-1-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-2-yl]pyridine?
The InChIKey is DIVMHKACFPQCDU-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H23ClN4/c1-25-14-18(21(24-25)16-6-4-8-19(22)12-16)15-26-11-3-2-9-20(26)17-7-5-10-23-13-17/h4-8,10,12-14,20H,2-3,9,11,15H2,1H3/t20-/m1/s1.
What are the key properties of 3-[(2R)-1-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-2-yl]pyridine?
3-[(2R)-1-[[3-(3-chlorophenyl)-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 3-[(2R)-1-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-2-yl]pyridine is sourced from PubChem (CID 95880993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).