1-(4-fluoro-2-methylphenyl)-N-[(3S)-pyrrolidin-3-yl]piperidin-4-amine

C16H24FN3 — CID 126452733

IUPAC1-(4-fluoro-2-methylphenyl)-N-[(3S)-pyrrolidin-3-yl]piperidin-4-amine
SMILESCc1cc(F)ccc1N1CCC(N[C@H]2CCNC2)CC1
InChIInChI=1S/C16H24FN3/c1-12-10-13(17)2-3-16(12)20-8-5-14(6-9-20)19-15-4-7-18-11-15/h2-3,10,14-15,18-19H,4-9,11H2,1H3/t15-/m0/s1
InChIKeyKAPAUYUQOIAYCV-HNNXBMFYSA-N
MW277.39 g/mol
LogP2.05
Rot. Bonds3

About 1-(4-fluoro-2-methylphenyl)-N-[(3S)-pyrrolidin-3-yl]piperidin-4-amine

1-(4-fluoro-2-methylphenyl)-N-[(3S)-pyrrolidin-3-yl]piperidin-4-amine (PubChem CID 126452733) has the molecular formula C16H24FN3 and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-N-[(3S)-pyrrolidin-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-N-[(3S)-pyrrolidin-3-yl]piperidin-4-amine
PubChem CID126452733
Molecular FormulaC16H24FN3
Molecular Weight277.39 g/mol
Exact Mass277.20
IUPAC Name1-(4-fluoro-2-methylphenyl)-N-[(3S)-pyrrolidin-3-yl]piperidin-4-amine
SMILESCc1cc(F)ccc1N1CCC(N[C@H]2CCNC2)CC1
InChIInChI=1S/C16H24FN3/c1-12-10-13(17)2-3-16(12)20-8-5-14(6-9-20)19-15-4-7-18-11-15/h2-3,10,14-15,18-19H,4-9,11H2,1H3/t15-/m0/s1
InChIKeyKAPAUYUQOIAYCV-HNNXBMFYSA-N
XLogP2.05
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylphenyl)-N-[(3S)-pyrrolidin-3-yl]piperidin-4-amine
CID 126449596
methyl 1-(4-fluoro-2-methylphenyl)piperidine-4-carboxylate
CID 143163523
1-(4-fluoro-2-methylphenyl)piperidine;methanol
CID 159526986
N-(2,4-difluorophenyl)pyrrolidin-3-amine
CID 66545630
N-cyclopropyl-1-(4-fluoro-2-nitrophenyl)piperidin-4-amine
CID 133381166
(2S)-2-[[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]amino]-3-phenylpropanamide
CID 131897552
1-(2-bromo-4-fluorophenyl)-N-methylpiperidin-4-amine
CID 60861637
1-(4-fluoro-2-methylphenyl)-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidin-4-amine
CID 131947345
N-(2,5-difluorophenyl)pyrrolidin-3-amine
CID 79737094
2-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]sulfonylethanol
CID 142832465
4-fluoro-2-methyl-N-[(3R)-piperidin-3-yl]benzamide
CID 113436694
1-(4-fluoro-2-methylphenyl)piperidin-3-amine
CID 54594111

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-[(3S)-pyrrolidin-3-yl]piperidin-4-amine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-[(3S)-pyrrolidin-3-yl]piperidin-4-amine (CID 126452733) is 1-(4-fluoro-2-methylphenyl)-N-[(3S)-pyrrolidin-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-N-[(3S)-pyrrolidin-3-yl]piperidin-4-amine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-N-[(3S)-pyrrolidin-3-yl]piperidin-4-amine is Cc1cc(F)ccc1N1CCC(N[C@H]2CCNC2)CC1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-N-[(3S)-pyrrolidin-3-yl]piperidin-4-amine?
The InChIKey is KAPAUYUQOIAYCV-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24FN3/c1-12-10-13(17)2-3-16(12)20-8-5-14(6-9-20)19-15-4-7-18-11-15/h2-3,10,14-15,18-19H,4-9,11H2,1H3/t15-/m0/s1.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-N-[(3S)-pyrrolidin-3-yl]piperidin-4-amine?
1-(4-fluoro-2-methylphenyl)-N-[(3S)-pyrrolidin-3-yl]piperidin-4-amine has a molecular weight of 277.39 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-N-[(3S)-pyrrolidin-3-yl]piperidin-4-amine is sourced from PubChem (CID 126452733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).