1-(4,4-dimethylpiperidin-1-yl)-1-(3-fluorophenyl)butan-2-amine

C17H27FN2 — CID 62935470

IUPAC1-(4,4-dimethylpiperidin-1-yl)-1-(3-fluorophenyl)butan-2-amine
SMILESCCC(N)C(c1cccc(F)c1)N1CCC(C)(C)CC1
InChIInChI=1S/C17H27FN2/c1-4-15(19)16(13-6-5-7-14(18)12-13)20-10-8-17(2,3)9-11-20/h5-7,12,15-16H,4,8-11,19H2,1-3H3
InChIKeyVGSPUODAKGULJA-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.73
Rot. Bonds4

About 1-(4,4-dimethylpiperidin-1-yl)-1-(3-fluorophenyl)butan-2-amine

1-(4,4-dimethylpiperidin-1-yl)-1-(3-fluorophenyl)butan-2-amine (PubChem CID 62935470) has the molecular formula C17H27FN2 and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-(4,4-dimethylpiperidin-1-yl)-1-(3-fluorophenyl)butan-2-amine.

Molecular Properties

Compound Name1-(4,4-dimethylpiperidin-1-yl)-1-(3-fluorophenyl)butan-2-amine
PubChem CID62935470
Molecular FormulaC17H27FN2
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC Name1-(4,4-dimethylpiperidin-1-yl)-1-(3-fluorophenyl)butan-2-amine
SMILESCCC(N)C(c1cccc(F)c1)N1CCC(C)(C)CC1
InChIInChI=1S/C17H27FN2/c1-4-15(19)16(13-6-5-7-14(18)12-13)20-10-8-17(2,3)9-11-20/h5-7,12,15-16H,4,8-11,19H2,1-3H3
InChIKeyVGSPUODAKGULJA-UHFFFAOYSA-N
XLogP3.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-1-thiomorpholin-4-ylbutan-2-amine
CID 55020193
1-(3-fluorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)butan-2-amine
CID 114537081
4-[2-amino-1-(3-fluorophenyl)butyl]piperazin-2-one
CID 55020579
1-(3-bromophenyl)-1-(7,7-dimethyl-1,4-thiazepan-4-yl)butan-2-amine
CID 107453294
1-(4,4-dimethylpiperidin-1-yl)-1-(3-methylphenyl)propan-2-amine
CID 62937541
2-(4-ethyl-4-methylpiperidin-1-yl)-2-(3-fluorophenyl)ethanamine
CID 63156587
1-(2,2-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-2-amine
CID 63216311
1-(4-fluorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine
CID 103505312
1-[(1S)-1-(3-fluorophenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305039
1-(2-ethylimidazol-1-yl)-1-(3-fluorophenyl)butan-2-amine
CID 55020060
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(3-fluorophenyl)propan-2-amine
CID 55020486

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylpiperidin-1-yl)-1-(3-fluorophenyl)butan-2-amine?
The IUPAC name of 1-(4,4-dimethylpiperidin-1-yl)-1-(3-fluorophenyl)butan-2-amine (CID 62935470) is 1-(4,4-dimethylpiperidin-1-yl)-1-(3-fluorophenyl)butan-2-amine.
What is the SMILES notation for 1-(4,4-dimethylpiperidin-1-yl)-1-(3-fluorophenyl)butan-2-amine?
The canonical SMILES for 1-(4,4-dimethylpiperidin-1-yl)-1-(3-fluorophenyl)butan-2-amine is CCC(N)C(c1cccc(F)c1)N1CCC(C)(C)CC1.
What is the InChIKey of 1-(4,4-dimethylpiperidin-1-yl)-1-(3-fluorophenyl)butan-2-amine?
The InChIKey is VGSPUODAKGULJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-4-15(19)16(13-6-5-7-14(18)12-13)20-10-8-17(2,3)9-11-20/h5-7,12,15-16H,4,8-11,19H2,1-3H3.
What are the key properties of 1-(4,4-dimethylpiperidin-1-yl)-1-(3-fluorophenyl)butan-2-amine?
1-(4,4-dimethylpiperidin-1-yl)-1-(3-fluorophenyl)butan-2-amine has a molecular weight of 278.42 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpiperidin-1-yl)-1-(3-fluorophenyl)butan-2-amine is sourced from PubChem (CID 62935470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).