3-[[(3R)-3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine

C19H21N5 — CID 95111353

IUPAC3-[[(3R)-3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine
SMILESc1ccc(-n2cnnc2[C@@H]2CCCN(Cc3cccnc3)C2)cc1
InChIInChI=1S/C19H21N5/c1-2-8-18(9-3-1)24-15-21-22-19(24)17-7-5-11-23(14-17)13-16-6-4-10-20-12-16/h1-4,6,8-10,12,15,17H,5,7,11,13-14H2/t17-/m1/s1
InChIKeyUPOHYIFMBWVXPT-QGZVFWFLSA-N
MW319.41 g/mol
LogP3.04
Rot. Bonds4

About 3-[[(3R)-3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine

3-[[(3R)-3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine (PubChem CID 95111353) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-[[(3R)-3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[(3R)-3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine
PubChem CID95111353
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name3-[[(3R)-3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine
SMILESc1ccc(-n2cnnc2[C@@H]2CCCN(Cc3cccnc3)C2)cc1
InChIInChI=1S/C19H21N5/c1-2-8-18(9-3-1)24-15-21-22-19(24)17-7-5-11-23(14-17)13-16-6-4-10-20-12-16/h1-4,6,8-10,12,15,17H,5,7,11,13-14H2/t17-/m1/s1
InChIKeyUPOHYIFMBWVXPT-QGZVFWFLSA-N
XLogP3.04
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(3S)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine
CID 97205422
2-methyl-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine
CID 110091435
3-[[3-[4-propan-2-yl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine
CID 6489371
[3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 53192818
3-methylsulfonyl-2-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine
CID 92603225
3-[2-(3-phenylpiperidin-1-yl)ethyl]pyridine
CID 56852589
(3S)-3-(4-benzyl-1,2,4-triazol-3-yl)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidine
CID 95111255
2-[5-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126424382
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
3-[[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]pyridine
CID 95717145
N-[2-oxo-2-[(3S)-3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]acetamide
CID 95111479
1-phenyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanesulfonamide
CID 125441693

Frequently Asked Questions

What is the IUPAC name of 3-[[(3R)-3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine?
The IUPAC name of 3-[[(3R)-3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine (CID 95111353) is 3-[[(3R)-3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 3-[[(3R)-3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 3-[[(3R)-3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine is c1ccc(-n2cnnc2[C@@H]2CCCN(Cc3cccnc3)C2)cc1.
What is the InChIKey of 3-[[(3R)-3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine?
The InChIKey is UPOHYIFMBWVXPT-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21N5/c1-2-8-18(9-3-1)24-15-21-22-19(24)17-7-5-11-23(14-17)13-16-6-4-10-20-12-16/h1-4,6,8-10,12,15,17H,5,7,11,13-14H2/t17-/m1/s1.
What are the key properties of 3-[[(3R)-3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine?
3-[[(3R)-3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine has a molecular weight of 319.41 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R)-3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 95111353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).