1-butan-2-yl-4-(1H-imidazol-5-yl)piperidine

C12H21N3 — CID 167991940

IUPAC1-butan-2-yl-4-(1H-imidazol-5-yl)piperidine
SMILESCCC(C)N1CCC(c2cnc[nH]2)CC1
InChIInChI=1S/C12H21N3/c1-3-10(2)15-6-4-11(5-7-15)12-8-13-9-14-12/h8-11H,3-7H2,1-2H3,(H,13,14)
InChIKeyXBVLFBBFVZXOCG-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.39
Rot. Bonds3

About 1-butan-2-yl-4-(1H-imidazol-5-yl)piperidine

1-butan-2-yl-4-(1H-imidazol-5-yl)piperidine (PubChem CID 167991940) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-butan-2-yl-4-(1H-imidazol-5-yl)piperidine.

Molecular Properties

Compound Name1-butan-2-yl-4-(1H-imidazol-5-yl)piperidine
PubChem CID167991940
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-butan-2-yl-4-(1H-imidazol-5-yl)piperidine
SMILESCCC(C)N1CCC(c2cnc[nH]2)CC1
InChIInChI=1S/C12H21N3/c1-3-10(2)15-6-4-11(5-7-15)12-8-13-9-14-12/h8-11H,3-7H2,1-2H3,(H,13,14)
InChIKeyXBVLFBBFVZXOCG-UHFFFAOYSA-N
XLogP2.39
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-(1H-imidazol-5-yl)piperidine?
The IUPAC name of 1-butan-2-yl-4-(1H-imidazol-5-yl)piperidine (CID 167991940) is 1-butan-2-yl-4-(1H-imidazol-5-yl)piperidine.
What is the SMILES notation for 1-butan-2-yl-4-(1H-imidazol-5-yl)piperidine?
The canonical SMILES for 1-butan-2-yl-4-(1H-imidazol-5-yl)piperidine is CCC(C)N1CCC(c2cnc[nH]2)CC1.
What is the InChIKey of 1-butan-2-yl-4-(1H-imidazol-5-yl)piperidine?
The InChIKey is XBVLFBBFVZXOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-10(2)15-6-4-11(5-7-15)12-8-13-9-14-12/h8-11H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 1-butan-2-yl-4-(1H-imidazol-5-yl)piperidine?
1-butan-2-yl-4-(1H-imidazol-5-yl)piperidine has a molecular weight of 207.32 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-(1H-imidazol-5-yl)piperidine is sourced from PubChem (CID 167991940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).