(2S)-1-[1-[(1,5-dimethylpyrazol-4-yl)methyl]azetidin-3-yl]-2-methylpiperidine

C15H26N4 — CID 95713039

IUPAC(2S)-1-[1-[(1,5-dimethylpyrazol-4-yl)methyl]azetidin-3-yl]-2-methylpiperidine
SMILESCc1c(CN2CC(N3CCCC[C@@H]3C)C2)cnn1C
InChIInChI=1S/C15H26N4/c1-12-6-4-5-7-19(12)15-10-18(11-15)9-14-8-16-17(3)13(14)2/h8,12,15H,4-7,9-11H2,1-3H3/t12-/m0/s1
InChIKeySIBJDFIPYPYKTK-LBPRGKRZSA-N
MW262.40 g/mol
LogP1.79
Rot. Bonds3

About (2S)-1-[1-[(1,5-dimethylpyrazol-4-yl)methyl]azetidin-3-yl]-2-methylpiperidine

(2S)-1-[1-[(1,5-dimethylpyrazol-4-yl)methyl]azetidin-3-yl]-2-methylpiperidine (PubChem CID 95713039) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is (2S)-1-[1-[(1,5-dimethylpyrazol-4-yl)methyl]azetidin-3-yl]-2-methylpiperidine.

Molecular Properties

Compound Name(2S)-1-[1-[(1,5-dimethylpyrazol-4-yl)methyl]azetidin-3-yl]-2-methylpiperidine
PubChem CID95713039
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name(2S)-1-[1-[(1,5-dimethylpyrazol-4-yl)methyl]azetidin-3-yl]-2-methylpiperidine
SMILESCc1c(CN2CC(N3CCCC[C@@H]3C)C2)cnn1C
InChIInChI=1S/C15H26N4/c1-12-6-4-5-7-19(12)15-10-18(11-15)9-14-8-16-17(3)13(14)2/h8,12,15H,4-7,9-11H2,1-3H3/t12-/m0/s1
InChIKeySIBJDFIPYPYKTK-LBPRGKRZSA-N
XLogP1.79
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[1-[(1,5-dimethylpyrazol-4-yl)methyl]azetidin-3-yl]-2-methylpiperidine?
The IUPAC name of (2S)-1-[1-[(1,5-dimethylpyrazol-4-yl)methyl]azetidin-3-yl]-2-methylpiperidine (CID 95713039) is (2S)-1-[1-[(1,5-dimethylpyrazol-4-yl)methyl]azetidin-3-yl]-2-methylpiperidine.
What is the SMILES notation for (2S)-1-[1-[(1,5-dimethylpyrazol-4-yl)methyl]azetidin-3-yl]-2-methylpiperidine?
The canonical SMILES for (2S)-1-[1-[(1,5-dimethylpyrazol-4-yl)methyl]azetidin-3-yl]-2-methylpiperidine is Cc1c(CN2CC(N3CCCC[C@@H]3C)C2)cnn1C.
What is the InChIKey of (2S)-1-[1-[(1,5-dimethylpyrazol-4-yl)methyl]azetidin-3-yl]-2-methylpiperidine?
The InChIKey is SIBJDFIPYPYKTK-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H26N4/c1-12-6-4-5-7-19(12)15-10-18(11-15)9-14-8-16-17(3)13(14)2/h8,12,15H,4-7,9-11H2,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-1-[1-[(1,5-dimethylpyrazol-4-yl)methyl]azetidin-3-yl]-2-methylpiperidine?
(2S)-1-[1-[(1,5-dimethylpyrazol-4-yl)methyl]azetidin-3-yl]-2-methylpiperidine has a molecular weight of 262.40 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[1-[(1,5-dimethylpyrazol-4-yl)methyl]azetidin-3-yl]-2-methylpiperidine is sourced from PubChem (CID 95713039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).