1-[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-N,N-dimethylpiperidin-3-amine

C17H28FN3 — CID 115996985

IUPAC1-[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-N,N-dimethylpiperidin-3-amine
SMILESCC(CN1CCCC(N(C)C)C1)C(N)c1ccccc1F
InChIInChI=1S/C17H28FN3/c1-13(17(19)15-8-4-5-9-16(15)18)11-21-10-6-7-14(12-21)20(2)3/h4-5,8-9,13-14,17H,6-7,10-12,19H2,1-3H3
InChIKeyJNVSVEUBUUSFBB-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.49
Rot. Bonds5

About 1-[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-N,N-dimethylpiperidin-3-amine

1-[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-N,N-dimethylpiperidin-3-amine (PubChem CID 115996985) has the molecular formula C17H28FN3 and a molecular weight of 293.43 g/mol. Its IUPAC name is 1-[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-N,N-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-N,N-dimethylpiperidin-3-amine
PubChem CID115996985
Molecular FormulaC17H28FN3
Molecular Weight293.43 g/mol
Exact Mass293.23
IUPAC Name1-[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-N,N-dimethylpiperidin-3-amine
SMILESCC(CN1CCCC(N(C)C)C1)C(N)c1ccccc1F
InChIInChI=1S/C17H28FN3/c1-13(17(19)15-8-4-5-9-16(15)18)11-21-10-6-7-14(12-21)20(2)3/h4-5,8-9,13-14,17H,6-7,10-12,19H2,1-3H3
InChIKeyJNVSVEUBUUSFBB-UHFFFAOYSA-N
XLogP2.49
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclohexyl-1-(2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 115996703
1-(2-fluorophenyl)-2-methyl-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 112679785
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-amine
CID 115996978
1-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 107521048
1-(2-amino-2-naphthalen-1-ylethyl)-N,N-dimethylpyrrolidin-3-amine
CID 63163943
3-(3,3-diethylpyrrolidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-amine
CID 115997005
N'-cyclohexyl-1-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 16786425
1-[2-amino-2-(4-fluorophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 107521053
1-(2-fluorophenyl)-3-(3-methoxypiperidin-1-yl)-N,2-dimethylpropan-1-amine
CID 102967344
1-(2-fluorophenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine
CID 114058299
1-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63164076
1-(2-fluorophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)butane-1,2-diamine
CID 62545323

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-N,N-dimethylpiperidin-3-amine?
The IUPAC name of 1-[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-N,N-dimethylpiperidin-3-amine (CID 115996985) is 1-[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for 1-[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-N,N-dimethylpiperidin-3-amine is CC(CN1CCCC(N(C)C)C1)C(N)c1ccccc1F.
What is the InChIKey of 1-[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-N,N-dimethylpiperidin-3-amine?
The InChIKey is JNVSVEUBUUSFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN3/c1-13(17(19)15-8-4-5-9-16(15)18)11-21-10-6-7-14(12-21)20(2)3/h4-5,8-9,13-14,17H,6-7,10-12,19H2,1-3H3.
What are the key properties of 1-[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-N,N-dimethylpiperidin-3-amine?
1-[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-N,N-dimethylpiperidin-3-amine has a molecular weight of 293.43 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-N,N-dimethylpiperidin-3-amine is sourced from PubChem (CID 115996985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).