(2R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-2-(1H-pyrazol-5-yl)piperidine

C16H25N5 — CID 124969207

IUPAC(2R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-2-(1H-pyrazol-5-yl)piperidine
SMILESCCCCc1ncc(CN2CCCC[C@@H]2c2ccn[nH]2)[nH]1
InChIInChI=1S/C16H25N5/c1-2-3-7-16-17-11-13(19-16)12-21-10-5-4-6-15(21)14-8-9-18-20-14/h8-9,11,15H,2-7,10,12H2,1H3,(H,17,19)(H,18,20)/t15-/m1/s1
InChIKeyJHAPDZKXWXAZGG-OAHLLOKOSA-N
MW287.41 g/mol
LogP3.20
Rot. Bonds6

About (2R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-2-(1H-pyrazol-5-yl)piperidine

(2R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-2-(1H-pyrazol-5-yl)piperidine (PubChem CID 124969207) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is (2R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-2-(1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name(2R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-2-(1H-pyrazol-5-yl)piperidine
PubChem CID124969207
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name(2R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-2-(1H-pyrazol-5-yl)piperidine
SMILESCCCCc1ncc(CN2CCCC[C@@H]2c2ccn[nH]2)[nH]1
InChIInChI=1S/C16H25N5/c1-2-3-7-16-17-11-13(19-16)12-21-10-5-4-6-15(21)14-8-9-18-20-14/h8-9,11,15H,2-7,10,12H2,1H3,(H,17,19)(H,18,20)/t15-/m1/s1
InChIKeyJHAPDZKXWXAZGG-OAHLLOKOSA-N
XLogP3.20
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-2-(1H-pyrazol-5-yl)piperidine?
The IUPAC name of (2R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-2-(1H-pyrazol-5-yl)piperidine (CID 124969207) is (2R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-2-(1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for (2R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-2-(1H-pyrazol-5-yl)piperidine?
The canonical SMILES for (2R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-2-(1H-pyrazol-5-yl)piperidine is CCCCc1ncc(CN2CCCC[C@@H]2c2ccn[nH]2)[nH]1.
What is the InChIKey of (2R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-2-(1H-pyrazol-5-yl)piperidine?
The InChIKey is JHAPDZKXWXAZGG-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H25N5/c1-2-3-7-16-17-11-13(19-16)12-21-10-5-4-6-15(21)14-8-9-18-20-14/h8-9,11,15H,2-7,10,12H2,1H3,(H,17,19)(H,18,20)/t15-/m1/s1.
What are the key properties of (2R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-2-(1H-pyrazol-5-yl)piperidine?
(2R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-2-(1H-pyrazol-5-yl)piperidine has a molecular weight of 287.41 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-2-(1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 124969207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).