(2S)-1-[1-[(1-ethylpyrazol-3-yl)methyl]azetidin-3-yl]-2-methylpiperidine

C15H26N4 — CID 124751575

IUPAC(2S)-1-[1-[(1-ethylpyrazol-3-yl)methyl]azetidin-3-yl]-2-methylpiperidine
SMILESCCn1ccc(CN2CC(N3CCCC[C@@H]3C)C2)n1
InChIInChI=1S/C15H26N4/c1-3-18-9-7-14(16-18)10-17-11-15(12-17)19-8-5-4-6-13(19)2/h7,9,13,15H,3-6,8,10-12H2,1-2H3/t13-/m0/s1
InChIKeyGZKAUEOOJPYJLU-ZDUSSCGKSA-N
MW262.40 g/mol
LogP1.96
Rot. Bonds4

About (2S)-1-[1-[(1-ethylpyrazol-3-yl)methyl]azetidin-3-yl]-2-methylpiperidine

(2S)-1-[1-[(1-ethylpyrazol-3-yl)methyl]azetidin-3-yl]-2-methylpiperidine (PubChem CID 124751575) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is (2S)-1-[1-[(1-ethylpyrazol-3-yl)methyl]azetidin-3-yl]-2-methylpiperidine.

Molecular Properties

Compound Name(2S)-1-[1-[(1-ethylpyrazol-3-yl)methyl]azetidin-3-yl]-2-methylpiperidine
PubChem CID124751575
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name(2S)-1-[1-[(1-ethylpyrazol-3-yl)methyl]azetidin-3-yl]-2-methylpiperidine
SMILESCCn1ccc(CN2CC(N3CCCC[C@@H]3C)C2)n1
InChIInChI=1S/C15H26N4/c1-3-18-9-7-14(16-18)10-17-11-15(12-17)19-8-5-4-6-13(19)2/h7,9,13,15H,3-6,8,10-12H2,1-2H3/t13-/m0/s1
InChIKeyGZKAUEOOJPYJLU-ZDUSSCGKSA-N
XLogP1.96
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[1-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]azetidin-3-yl]piperidine
CID 91833528
9-hydroxy-2-[[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 124756634
2-[3-methyl-4-[[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]pyrazol-1-yl]ethanol
CID 95388512
(3S,4S)-4-(dimethylamino)-1-[(1-ethylpyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 131894897
(2S)-1-[1-[[4-(3-imidazol-1-ylpropoxy)phenyl]methyl]azetidin-3-yl]-2-methylpiperidine
CID 95714151
(2R)-1-[(1-ethylpyrazol-3-yl)methyl]-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine
CID 124754791
4-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-3-yl]pyrimidine
CID 131891459
(2S)-1-[1-[(4,5-dimethylfuran-2-yl)methyl]azetidin-3-yl]-2-methylpiperidine
CID 95712860
2-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-2-yl]pyridine
CID 91835201
1-benzyl-4-[(2R)-2-methylpiperidin-1-yl]piperidine
CID 30983085
1-[(1-ethylpyrazol-3-yl)methyl]-4-piperidin-1-ylsulfonyl-1,4-diazepane
CID 131889933
N-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-4-yl]methanesulfonamide
CID 91836825

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[1-[(1-ethylpyrazol-3-yl)methyl]azetidin-3-yl]-2-methylpiperidine?
The IUPAC name of (2S)-1-[1-[(1-ethylpyrazol-3-yl)methyl]azetidin-3-yl]-2-methylpiperidine (CID 124751575) is (2S)-1-[1-[(1-ethylpyrazol-3-yl)methyl]azetidin-3-yl]-2-methylpiperidine.
What is the SMILES notation for (2S)-1-[1-[(1-ethylpyrazol-3-yl)methyl]azetidin-3-yl]-2-methylpiperidine?
The canonical SMILES for (2S)-1-[1-[(1-ethylpyrazol-3-yl)methyl]azetidin-3-yl]-2-methylpiperidine is CCn1ccc(CN2CC(N3CCCC[C@@H]3C)C2)n1.
What is the InChIKey of (2S)-1-[1-[(1-ethylpyrazol-3-yl)methyl]azetidin-3-yl]-2-methylpiperidine?
The InChIKey is GZKAUEOOJPYJLU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H26N4/c1-3-18-9-7-14(16-18)10-17-11-15(12-17)19-8-5-4-6-13(19)2/h7,9,13,15H,3-6,8,10-12H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-1-[1-[(1-ethylpyrazol-3-yl)methyl]azetidin-3-yl]-2-methylpiperidine?
(2S)-1-[1-[(1-ethylpyrazol-3-yl)methyl]azetidin-3-yl]-2-methylpiperidine has a molecular weight of 262.40 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[1-[(1-ethylpyrazol-3-yl)methyl]azetidin-3-yl]-2-methylpiperidine is sourced from PubChem (CID 124751575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).