1-(4-imidazol-1-ylphenyl)-N-[(2R)-3-methylbutan-2-yl]piperidin-4-amine

C19H28N4 — CID 46992685

IUPAC1-(4-imidazol-1-ylphenyl)-N-[(2R)-3-methylbutan-2-yl]piperidin-4-amine
SMILESCC(C)[C@@H](C)NC1CCN(c2ccc(-n3ccnc3)cc2)CC1
InChIInChI=1S/C19H28N4/c1-15(2)16(3)21-17-8-11-22(12-9-17)18-4-6-19(7-5-18)23-13-10-20-14-23/h4-7,10,13-17,21H,8-9,11-12H2,1-3H3/t16-/m1/s1
InChIKeyLXSXJLPRLNZGMY-MRXNPFEDSA-N
MW312.46 g/mol
LogP3.48
Rot. Bonds5

About 1-(4-imidazol-1-ylphenyl)-N-[(2R)-3-methylbutan-2-yl]piperidin-4-amine

1-(4-imidazol-1-ylphenyl)-N-[(2R)-3-methylbutan-2-yl]piperidin-4-amine (PubChem CID 46992685) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is 1-(4-imidazol-1-ylphenyl)-N-[(2R)-3-methylbutan-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-(4-imidazol-1-ylphenyl)-N-[(2R)-3-methylbutan-2-yl]piperidin-4-amine
PubChem CID46992685
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC Name1-(4-imidazol-1-ylphenyl)-N-[(2R)-3-methylbutan-2-yl]piperidin-4-amine
SMILESCC(C)[C@@H](C)NC1CCN(c2ccc(-n3ccnc3)cc2)CC1
InChIInChI=1S/C19H28N4/c1-15(2)16(3)21-17-8-11-22(12-9-17)18-4-6-19(7-5-18)23-13-10-20-14-23/h4-7,10,13-17,21H,8-9,11-12H2,1-3H3/t16-/m1/s1
InChIKeyLXSXJLPRLNZGMY-MRXNPFEDSA-N
XLogP3.48
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-imidazol-1-ylphenyl)-N-[(2R)-3-methylbutan-2-yl]piperidin-4-amine?
The IUPAC name of 1-(4-imidazol-1-ylphenyl)-N-[(2R)-3-methylbutan-2-yl]piperidin-4-amine (CID 46992685) is 1-(4-imidazol-1-ylphenyl)-N-[(2R)-3-methylbutan-2-yl]piperidin-4-amine.
What is the SMILES notation for 1-(4-imidazol-1-ylphenyl)-N-[(2R)-3-methylbutan-2-yl]piperidin-4-amine?
The canonical SMILES for 1-(4-imidazol-1-ylphenyl)-N-[(2R)-3-methylbutan-2-yl]piperidin-4-amine is CC(C)[C@@H](C)NC1CCN(c2ccc(-n3ccnc3)cc2)CC1.
What is the InChIKey of 1-(4-imidazol-1-ylphenyl)-N-[(2R)-3-methylbutan-2-yl]piperidin-4-amine?
The InChIKey is LXSXJLPRLNZGMY-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H28N4/c1-15(2)16(3)21-17-8-11-22(12-9-17)18-4-6-19(7-5-18)23-13-10-20-14-23/h4-7,10,13-17,21H,8-9,11-12H2,1-3H3/t16-/m1/s1.
What are the key properties of 1-(4-imidazol-1-ylphenyl)-N-[(2R)-3-methylbutan-2-yl]piperidin-4-amine?
1-(4-imidazol-1-ylphenyl)-N-[(2R)-3-methylbutan-2-yl]piperidin-4-amine has a molecular weight of 312.46 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-imidazol-1-ylphenyl)-N-[(2R)-3-methylbutan-2-yl]piperidin-4-amine is sourced from PubChem (CID 46992685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).