1-[(2-fluorophenyl)methyl]-N-[(2R)-1-(2-methylimidazol-1-yl)propan-2-yl]piperidin-4-amine

C19H27FN4 — CID 125438218

IUPAC1-[(2-fluorophenyl)methyl]-N-[(2R)-1-(2-methylimidazol-1-yl)propan-2-yl]piperidin-4-amine
SMILESCc1nccn1C[C@@H](C)NC1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C19H27FN4/c1-15(13-24-12-9-21-16(24)2)22-18-7-10-23(11-8-18)14-17-5-3-4-6-19(17)20/h3-6,9,12,15,18,22H,7-8,10-11,13-14H2,1-2H3/t15-/m1/s1
InChIKeyZZHUTRCIYWTGQD-OAHLLOKOSA-N
MW330.45 g/mol
LogP2.97
Rot. Bonds6

About 1-[(2-fluorophenyl)methyl]-N-[(2R)-1-(2-methylimidazol-1-yl)propan-2-yl]piperidin-4-amine

1-[(2-fluorophenyl)methyl]-N-[(2R)-1-(2-methylimidazol-1-yl)propan-2-yl]piperidin-4-amine (PubChem CID 125438218) has the molecular formula C19H27FN4 and a molecular weight of 330.45 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-[(2R)-1-(2-methylimidazol-1-yl)propan-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-[(2R)-1-(2-methylimidazol-1-yl)propan-2-yl]piperidin-4-amine
PubChem CID125438218
Molecular FormulaC19H27FN4
Molecular Weight330.45 g/mol
Exact Mass330.22
IUPAC Name1-[(2-fluorophenyl)methyl]-N-[(2R)-1-(2-methylimidazol-1-yl)propan-2-yl]piperidin-4-amine
SMILESCc1nccn1C[C@@H](C)NC1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C19H27FN4/c1-15(13-24-12-9-21-16(24)2)22-18-7-10-23(11-8-18)14-17-5-3-4-6-19(17)20/h3-6,9,12,15,18,22H,7-8,10-11,13-14H2,1-2H3/t15-/m1/s1
InChIKeyZZHUTRCIYWTGQD-OAHLLOKOSA-N
XLogP2.97
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2-fluorophenyl)methyl]-N-[(2R)-1-(2-methylimidazol-1-yl)propan-2-yl]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-fluorophenyl)methyl]-N-[(1S)-1-(3-methylpyrazin-2-yl)ethyl]piperidin-4-amine
CID 129433668
(2R)-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-methylsulfonylpropanamide
CID 94797005
1-[(2-fluorophenyl)methyl]piperidin-4-ol
CID 10242192
N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 122565641
(2R)-N-cyclopropyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propanamide
CID 31688904
N-[1-(2-fluorophenyl)propan-2-yl]cycloheptanamine
CID 115592320
4-chloro-1-[(2-fluorophenyl)methyl]piperidine
CID 63389364
(1R)-1-(2-fluorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine
CID 81380913
N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-amine
CID 99824763
N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine
CID 99824765
N-cycloheptyl-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107381
5-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine
CID 155981420

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-[(2R)-1-(2-methylimidazol-1-yl)propan-2-yl]piperidin-4-amine?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-[(2R)-1-(2-methylimidazol-1-yl)propan-2-yl]piperidin-4-amine (CID 125438218) is 1-[(2-fluorophenyl)methyl]-N-[(2R)-1-(2-methylimidazol-1-yl)propan-2-yl]piperidin-4-amine.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-[(2R)-1-(2-methylimidazol-1-yl)propan-2-yl]piperidin-4-amine?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-[(2R)-1-(2-methylimidazol-1-yl)propan-2-yl]piperidin-4-amine is Cc1nccn1C[C@@H](C)NC1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-[(2R)-1-(2-methylimidazol-1-yl)propan-2-yl]piperidin-4-amine?
The InChIKey is ZZHUTRCIYWTGQD-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H27FN4/c1-15(13-24-12-9-21-16(24)2)22-18-7-10-23(11-8-18)14-17-5-3-4-6-19(17)20/h3-6,9,12,15,18,22H,7-8,10-11,13-14H2,1-2H3/t15-/m1/s1.
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-[(2R)-1-(2-methylimidazol-1-yl)propan-2-yl]piperidin-4-amine?
1-[(2-fluorophenyl)methyl]-N-[(2R)-1-(2-methylimidazol-1-yl)propan-2-yl]piperidin-4-amine has a molecular weight of 330.45 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-[(2R)-1-(2-methylimidazol-1-yl)propan-2-yl]piperidin-4-amine is sourced from PubChem (CID 125438218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).