N-[(2R)-3-methylbutan-2-yl]-1-[4-(2-methylimidazol-1-yl)phenyl]piperidin-4-amine

C20H30N4 — CID 46985896

IUPACN-[(2R)-3-methylbutan-2-yl]-1-[4-(2-methylimidazol-1-yl)phenyl]piperidin-4-amine
SMILESCc1nccn1-c1ccc(N2CCC(N[C@H](C)C(C)C)CC2)cc1
InChIInChI=1S/C20H30N4/c1-15(2)16(3)22-18-9-12-23(13-10-18)19-5-7-20(8-6-19)24-14-11-21-17(24)4/h5-8,11,14-16,18,22H,9-10,12-13H2,1-4H3/t16-/m1/s1
InChIKeyXWJJRDWXAMUSNG-MRXNPFEDSA-N
MW326.49 g/mol
LogP3.78
Rot. Bonds5

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

N-[(2R)-3-methylbutan-2-yl]-1-[4-(2-methylimidazol-1-yl)phenyl]piperidin-4-amine (PubChem CID 46985896) has the molecular formula C20H30N4 and a molecular weight of 326.49 g/mol. Its IUPAC name is N-[(2R)-3-methylbutan-2-yl]-1-[4-(2-methylimidazol-1-yl)phenyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(2R)-3-methylbutan-2-yl]-1-[4-(2-methylimidazol-1-yl)phenyl]piperidin-4-amine
PubChem CID46985896
Molecular FormulaC20H30N4
Molecular Weight326.49 g/mol
Exact Mass326.25
IUPAC NameN-[(2R)-3-methylbutan-2-yl]-1-[4-(2-methylimidazol-1-yl)phenyl]piperidin-4-amine
SMILESCc1nccn1-c1ccc(N2CCC(N[C@H](C)C(C)C)CC2)cc1
InChIInChI=1S/C20H30N4/c1-15(2)16(3)22-18-9-12-23(13-10-18)19-5-7-20(8-6-19)24-14-11-21-17(24)4/h5-8,11,14-16,18,22H,9-10,12-13H2,1-4H3/t16-/m1/s1
InChIKeyXWJJRDWXAMUSNG-MRXNPFEDSA-N
XLogP3.78
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 53.78
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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Related Compounds

1-Phenylimidazole
CID 81595
4-(1H-imidazol-1-yl)aniline
CID 320165
4-(2-methyl-1H-imidazol-1-yl)aniline
CID 3157478
Cyclohexyl-(2-isopropyl-7-methyl-imidazo[1,2-a]pyridin-3-yl)-amine
CID 856436
2-(2-(4-(Dimethylamino)phenyl)diazenyl)-1,3-dimethyl-1H-imidazolium chloride (1:1)
CID 166491
2-(1H-imidazol-1-yl)aniline
CID 320166
1-(2-(1H-imidazol-1-yl)phenyl)methanamine
CID 3161671
4-((1H-Imidazol-4-yl)methyl)-1-phenylpiperidine
CID 49799252
4-N,4-N-dimethyl-1-N-(5-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-yl)cyclohexane-1,4-diamine
CID 133107905
3-[3-(1H-imidazol-1-yl)propyl]-1-phenylthiourea
CID 2882201
1-[4-(dimethylamino)phenyl]-3-[3-(1H-imidazol-1-yl)propyl]thiourea
CID 6539186
4-imidazol-1-yl-N-methyl-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 714180

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methylbutan-2-yl]-1-[4-(2-methylimidazol-1-yl)phenyl]piperidin-4-amine?
The IUPAC name of N-[(2R)-3-methylbutan-2-yl]-1-[4-(2-methylimidazol-1-yl)phenyl]piperidin-4-amine (CID 46985896) is N-[(2R)-3-methylbutan-2-yl]-1-[4-(2-methylimidazol-1-yl)phenyl]piperidin-4-amine.
What is the SMILES notation for N-[(2R)-3-methylbutan-2-yl]-1-[4-(2-methylimidazol-1-yl)phenyl]piperidin-4-amine?
The canonical SMILES for N-[(2R)-3-methylbutan-2-yl]-1-[4-(2-methylimidazol-1-yl)phenyl]piperidin-4-amine is Cc1nccn1-c1ccc(N2CCC(N[C@H](C)C(C)C)CC2)cc1.
What is the InChIKey of N-[(2R)-3-methylbutan-2-yl]-1-[4-(2-methylimidazol-1-yl)phenyl]piperidin-4-amine?
The InChIKey is XWJJRDWXAMUSNG-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H30N4/c1-15(2)16(3)22-18-9-12-23(13-10-18)19-5-7-20(8-6-19)24-14-11-21-17(24)4/h5-8,11,14-16,18,22H,9-10,12-13H2,1-4H3/t16-/m1/s1.
What are the key properties of N-[(2R)-3-methylbutan-2-yl]-1-[4-(2-methylimidazol-1-yl)phenyl]piperidin-4-amine?
N-[(2R)-3-methylbutan-2-yl]-1-[4-(2-methylimidazol-1-yl)phenyl]piperidin-4-amine has a molecular weight of 326.49 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methylbutan-2-yl]-1-[4-(2-methylimidazol-1-yl)phenyl]piperidin-4-amine is sourced from PubChem (CID 46985896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).