(3S)-1-[(2,3-dimethylimidazol-4-yl)methyl]-3-(2-methylpyrazol-3-yl)piperidine

C15H23N5 — CID 164631828

IUPAC(3S)-1-[(2,3-dimethylimidazol-4-yl)methyl]-3-(2-methylpyrazol-3-yl)piperidine
SMILESCc1ncc(CN2CCC[C@H](c3ccnn3C)C2)n1C
InChIInChI=1S/C15H23N5/c1-12-16-9-14(18(12)2)11-20-8-4-5-13(10-20)15-6-7-17-19(15)3/h6-7,9,13H,4-5,8,10-11H2,1-3H3/t13-/m0/s1
InChIKeyBVFOUMUNLPMVQZ-ZDUSSCGKSA-N
MW273.38 g/mol
LogP1.84
Rot. Bonds3

About (3S)-1-[(2,3-dimethylimidazol-4-yl)methyl]-3-(2-methylpyrazol-3-yl)piperidine

(3S)-1-[(2,3-dimethylimidazol-4-yl)methyl]-3-(2-methylpyrazol-3-yl)piperidine (PubChem CID 164631828) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is (3S)-1-[(2,3-dimethylimidazol-4-yl)methyl]-3-(2-methylpyrazol-3-yl)piperidine.

Molecular Properties

Compound Name(3S)-1-[(2,3-dimethylimidazol-4-yl)methyl]-3-(2-methylpyrazol-3-yl)piperidine
PubChem CID164631828
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name(3S)-1-[(2,3-dimethylimidazol-4-yl)methyl]-3-(2-methylpyrazol-3-yl)piperidine
SMILESCc1ncc(CN2CCC[C@H](c3ccnn3C)C2)n1C
InChIInChI=1S/C15H23N5/c1-12-16-9-14(18(12)2)11-20-8-4-5-13(10-20)15-6-7-17-19(15)3/h6-7,9,13H,4-5,8,10-11H2,1-3H3/t13-/m0/s1
InChIKeyBVFOUMUNLPMVQZ-ZDUSSCGKSA-N
XLogP1.84
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2,3-dimethylimidazol-4-yl)methyl]-3-(2-methylpyrazol-3-yl)piperidine?
The IUPAC name of (3S)-1-[(2,3-dimethylimidazol-4-yl)methyl]-3-(2-methylpyrazol-3-yl)piperidine (CID 164631828) is (3S)-1-[(2,3-dimethylimidazol-4-yl)methyl]-3-(2-methylpyrazol-3-yl)piperidine.
What is the SMILES notation for (3S)-1-[(2,3-dimethylimidazol-4-yl)methyl]-3-(2-methylpyrazol-3-yl)piperidine?
The canonical SMILES for (3S)-1-[(2,3-dimethylimidazol-4-yl)methyl]-3-(2-methylpyrazol-3-yl)piperidine is Cc1ncc(CN2CCC[C@H](c3ccnn3C)C2)n1C.
What is the InChIKey of (3S)-1-[(2,3-dimethylimidazol-4-yl)methyl]-3-(2-methylpyrazol-3-yl)piperidine?
The InChIKey is BVFOUMUNLPMVQZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23N5/c1-12-16-9-14(18(12)2)11-20-8-4-5-13(10-20)15-6-7-17-19(15)3/h6-7,9,13H,4-5,8,10-11H2,1-3H3/t13-/m0/s1.
What are the key properties of (3S)-1-[(2,3-dimethylimidazol-4-yl)methyl]-3-(2-methylpyrazol-3-yl)piperidine?
(3S)-1-[(2,3-dimethylimidazol-4-yl)methyl]-3-(2-methylpyrazol-3-yl)piperidine has a molecular weight of 273.38 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2,3-dimethylimidazol-4-yl)methyl]-3-(2-methylpyrazol-3-yl)piperidine is sourced from PubChem (CID 164631828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).