1-(2-fluorophenyl)-N-[(2S)-1-imidazol-1-ylbutan-2-yl]piperidin-4-amine

C18H25FN4 — CID 95194053

IUPAC1-(2-fluorophenyl)-N-[(2S)-1-imidazol-1-ylbutan-2-yl]piperidin-4-amine
SMILESCC[C@@H](Cn1ccnc1)NC1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H25FN4/c1-2-15(13-22-12-9-20-14-22)21-16-7-10-23(11-8-16)18-6-4-3-5-17(18)19/h3-6,9,12,14-16,21H,2,7-8,10-11,13H2,1H3/t15-/m0/s1
InChIKeyPDWRGCXNICKGTF-HNNXBMFYSA-N
MW316.42 g/mol
LogP3.06
Rot. Bonds6

About 1-(2-fluorophenyl)-N-[(2S)-1-imidazol-1-ylbutan-2-yl]piperidin-4-amine

1-(2-fluorophenyl)-N-[(2S)-1-imidazol-1-ylbutan-2-yl]piperidin-4-amine (PubChem CID 95194053) has the molecular formula C18H25FN4 and a molecular weight of 316.42 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[(2S)-1-imidazol-1-ylbutan-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[(2S)-1-imidazol-1-ylbutan-2-yl]piperidin-4-amine
PubChem CID95194053
Molecular FormulaC18H25FN4
Molecular Weight316.42 g/mol
Exact Mass316.21
IUPAC Name1-(2-fluorophenyl)-N-[(2S)-1-imidazol-1-ylbutan-2-yl]piperidin-4-amine
SMILESCC[C@@H](Cn1ccnc1)NC1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H25FN4/c1-2-15(13-22-12-9-20-14-22)21-16-7-10-23(11-8-16)18-6-4-3-5-17(18)19/h3-6,9,12,14-16,21H,2,7-8,10-11,13H2,1H3/t15-/m0/s1
InChIKeyPDWRGCXNICKGTF-HNNXBMFYSA-N
XLogP3.06
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-N-[(1S)-1-pyridin-2-ylpropyl]piperidin-4-amine
CID 95188661
N-ethyl-4-(2-fluorophenyl)-N'-(2-imidazol-1-ylethyl)piperazine-1-carboximidamide
CID 111148161
N-ethyl-1-(2-fluorophenyl)piperidin-4-amine
CID 43315313
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(2-fluorophenyl)piperidin-4-amine
CID 125437238
1-(2-fluorophenyl)-N-pentan-3-ylpiperidine-4-carboxamide
CID 17152735
1-(2-fluorophenyl)-N-(1-imidazol-1-ylpropan-2-yl)propan-1-amine
CID 112631437
N-(1-imidazol-1-ylbutan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 119060884
N-[1-(2-fluorophenyl)piperidin-4-yl]pyrimidin-2-amine
CID 141014633
2-fluoro-N-(1-imidazol-1-ylbutan-2-yl)-6-methoxybenzamide
CID 91778772
N-cyclohexyl-1-(2-fluorophenyl)piperidin-4-amine
CID 66872138
N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-2,3-dihydro-1H-inden-2-amine
CID 93276734
N-(1-imidazol-1-ylpropan-2-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 47055628

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[(2S)-1-imidazol-1-ylbutan-2-yl]piperidin-4-amine?
The IUPAC name of 1-(2-fluorophenyl)-N-[(2S)-1-imidazol-1-ylbutan-2-yl]piperidin-4-amine (CID 95194053) is 1-(2-fluorophenyl)-N-[(2S)-1-imidazol-1-ylbutan-2-yl]piperidin-4-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[(2S)-1-imidazol-1-ylbutan-2-yl]piperidin-4-amine?
The canonical SMILES for 1-(2-fluorophenyl)-N-[(2S)-1-imidazol-1-ylbutan-2-yl]piperidin-4-amine is CC[C@@H](Cn1ccnc1)NC1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[(2S)-1-imidazol-1-ylbutan-2-yl]piperidin-4-amine?
The InChIKey is PDWRGCXNICKGTF-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25FN4/c1-2-15(13-22-12-9-20-14-22)21-16-7-10-23(11-8-16)18-6-4-3-5-17(18)19/h3-6,9,12,14-16,21H,2,7-8,10-11,13H2,1H3/t15-/m0/s1.
What are the key properties of 1-(2-fluorophenyl)-N-[(2S)-1-imidazol-1-ylbutan-2-yl]piperidin-4-amine?
1-(2-fluorophenyl)-N-[(2S)-1-imidazol-1-ylbutan-2-yl]piperidin-4-amine has a molecular weight of 316.42 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[(2S)-1-imidazol-1-ylbutan-2-yl]piperidin-4-amine is sourced from PubChem (CID 95194053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).