4-(5-methyl-2-propan-2-yl-1H-imidazol-4-yl)piperidine

C12H21N3 — CID 105461163

IUPAC4-(5-methyl-2-propan-2-yl-1H-imidazol-4-yl)piperidine
SMILESCc1[nH]c(C(C)C)nc1C1CCNCC1
InChIInChI=1S/C12H21N3/c1-8(2)12-14-9(3)11(15-12)10-4-6-13-7-5-10/h8,10,13H,4-7H2,1-3H3,(H,14,15)
InChIKeyYAKBAQIKVQSKRR-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.31
Rot. Bonds2

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

4-(5-methyl-2-propan-2-yl-1H-imidazol-4-yl)piperidine (PubChem CID 105461163) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-(5-methyl-2-propan-2-yl-1H-imidazol-4-yl)piperidine.

Molecular Properties

Compound Name4-(5-methyl-2-propan-2-yl-1H-imidazol-4-yl)piperidine
PubChem CID105461163
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name4-(5-methyl-2-propan-2-yl-1H-imidazol-4-yl)piperidine
SMILESCc1[nH]c(C(C)C)nc1C1CCNCC1
InChIInChI=1S/C12H21N3/c1-8(2)12-14-9(3)11(15-12)10-4-6-13-7-5-10/h8,10,13H,4-7H2,1-3H3,(H,14,15)
InChIKeyYAKBAQIKVQSKRR-UHFFFAOYSA-N
XLogP2.31
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-2-propan-2-yl-1H-imidazol-4-yl)piperidine?
The IUPAC name of 4-(5-methyl-2-propan-2-yl-1H-imidazol-4-yl)piperidine (CID 105461163) is 4-(5-methyl-2-propan-2-yl-1H-imidazol-4-yl)piperidine.
What is the SMILES notation for 4-(5-methyl-2-propan-2-yl-1H-imidazol-4-yl)piperidine?
The canonical SMILES for 4-(5-methyl-2-propan-2-yl-1H-imidazol-4-yl)piperidine is Cc1[nH]c(C(C)C)nc1C1CCNCC1.
What is the InChIKey of 4-(5-methyl-2-propan-2-yl-1H-imidazol-4-yl)piperidine?
The InChIKey is YAKBAQIKVQSKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-8(2)12-14-9(3)11(15-12)10-4-6-13-7-5-10/h8,10,13H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 4-(5-methyl-2-propan-2-yl-1H-imidazol-4-yl)piperidine?
4-(5-methyl-2-propan-2-yl-1H-imidazol-4-yl)piperidine has a molecular weight of 207.32 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-2-propan-2-yl-1H-imidazol-4-yl)piperidine is sourced from PubChem (CID 105461163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).