1-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-3-propan-2-ylpiperidine

C14H25N3 — CID 134236213

IUPAC1-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-3-propan-2-ylpiperidine
SMILESCc1nc(CN2CCCC(C(C)C)C2)[nH]c1C
InChIInChI=1S/C14H25N3/c1-10(2)13-6-5-7-17(8-13)9-14-15-11(3)12(4)16-14/h10,13H,5-9H2,1-4H3,(H,15,16)
InChIKeyOUWUVCUKLFJARG-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.89
Rot. Bonds3

About 1-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-3-propan-2-ylpiperidine

1-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-3-propan-2-ylpiperidine (PubChem CID 134236213) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-3-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-3-propan-2-ylpiperidine
PubChem CID134236213
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name1-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-3-propan-2-ylpiperidine
SMILESCc1nc(CN2CCCC(C(C)C)C2)[nH]c1C
InChIInChI=1S/C14H25N3/c1-10(2)13-6-5-7-17(8-13)9-14-15-11(3)12(4)16-14/h10,13H,5-9H2,1-4H3,(H,15,16)
InChIKeyOUWUVCUKLFJARG-UHFFFAOYSA-N
XLogP2.89
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-3-propan-2-ylpiperidine?
The IUPAC name of 1-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-3-propan-2-ylpiperidine (CID 134236213) is 1-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-3-propan-2-ylpiperidine.
What is the SMILES notation for 1-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-3-propan-2-ylpiperidine?
The canonical SMILES for 1-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-3-propan-2-ylpiperidine is Cc1nc(CN2CCCC(C(C)C)C2)[nH]c1C.
What is the InChIKey of 1-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-3-propan-2-ylpiperidine?
The InChIKey is OUWUVCUKLFJARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-10(2)13-6-5-7-17(8-13)9-14-15-11(3)12(4)16-14/h10,13H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 1-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-3-propan-2-ylpiperidine?
1-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-3-propan-2-ylpiperidine has a molecular weight of 235.37 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-3-propan-2-ylpiperidine is sourced from PubChem (CID 134236213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).