1-(2,3-dimethylphenyl)-N-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-amine

C18H26N4 — CID 122571193

IUPAC1-(2,3-dimethylphenyl)-N-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-amine
SMILESCc1cccc(N2CCC(NCCc3ncc[nH]3)CC2)c1C
InChIInChI=1S/C18H26N4/c1-14-4-3-5-17(15(14)2)22-12-7-16(8-13-22)19-9-6-18-20-10-11-21-18/h3-5,10-11,16,19H,6-9,12-13H2,1-2H3,(H,20,21)
InChIKeyMFMJQAHKEULDRB-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.83
Rot. Bonds5

About 1-(2,3-dimethylphenyl)-N-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-amine

1-(2,3-dimethylphenyl)-N-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-amine (PubChem CID 122571193) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-N-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-N-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-amine
PubChem CID122571193
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name1-(2,3-dimethylphenyl)-N-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-amine
SMILESCc1cccc(N2CCC(NCCc3ncc[nH]3)CC2)c1C
InChIInChI=1S/C18H26N4/c1-14-4-3-5-17(15(14)2)22-12-7-16(8-13-22)19-9-6-18-20-10-11-21-18/h3-5,10-11,16,19H,6-9,12-13H2,1-2H3,(H,20,21)
InChIKeyMFMJQAHKEULDRB-UHFFFAOYSA-N
XLogP2.83
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dimethylphenyl)-N-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dimethylphenyl)-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine;formic acid
CID 154907320
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2,3-dimethylphenyl)piperidin-4-amine
CID 56705521
3-(cycloheptylamino)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one
CID 109029569
1-(2,3-dimethylphenyl)-N-[[(2S)-morpholin-2-yl]methyl]piperidin-4-amine
CID 126441523
1-(3-bromo-2-methylphenyl)-N-propylpiperidin-4-amine
CID 107636284
1-(3-methyl-2-pyridinyl)-N-propylpiperidin-4-amine
CID 62252971
N-propyl-1-quinolin-5-ylpiperidin-4-amine
CID 43315003
N-(1H-imidazol-2-ylmethyl)-1-[4-(3-methoxyphenyl)phenyl]piperidin-4-amine
CID 29183775
(2S)-2-[[1-(2,3-dimethylphenyl)piperidin-4-yl]amino]-4-methylsulfanylbutan-1-ol
CID 131949225
1-tert-butyl-N-(1H-imidazol-2-ylmethyl)piperidin-4-amine
CID 54976574
N-cyclopropyl-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112882393
(3S)-1-(3-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrrolidin-3-amine
CID 96564403

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-N-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1-(2,3-dimethylphenyl)-N-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-amine (CID 122571193) is 1-(2,3-dimethylphenyl)-N-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-N-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-N-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-amine is Cc1cccc(N2CCC(NCCc3ncc[nH]3)CC2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-N-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-amine?
The InChIKey is MFMJQAHKEULDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-14-4-3-5-17(15(14)2)22-12-7-16(8-13-22)19-9-6-18-20-10-11-21-18/h3-5,10-11,16,19H,6-9,12-13H2,1-2H3,(H,20,21).
What are the key properties of 1-(2,3-dimethylphenyl)-N-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-amine?
1-(2,3-dimethylphenyl)-N-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-amine has a molecular weight of 298.43 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-N-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 122571193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).