1-(4-fluorophenyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propane-1,3-diamine

C17H28FN3 — CID 63236752

IUPAC1-(4-fluorophenyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propane-1,3-diamine
SMILESCN1CCC(CN(C)CCC(N)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H28FN3/c1-20-10-7-14(8-11-20)13-21(2)12-9-17(19)15-3-5-16(18)6-4-15/h3-6,14,17H,7-13,19H2,1-2H3
InChIKeyZGRAUFXIXMHYQH-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.49
Rot. Bonds6

About 1-(4-fluorophenyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propane-1,3-diamine

1-(4-fluorophenyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propane-1,3-diamine (PubChem CID 63236752) has the molecular formula C17H28FN3 and a molecular weight of 293.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propane-1,3-diamine
PubChem CID63236752
Molecular FormulaC17H28FN3
Molecular Weight293.43 g/mol
Exact Mass293.23
IUPAC Name1-(4-fluorophenyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propane-1,3-diamine
SMILESCN1CCC(CN(C)CCC(N)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H28FN3/c1-20-10-7-14(8-11-20)13-21(2)12-9-17(19)15-3-5-16(18)6-4-15/h3-6,14,17H,7-13,19H2,1-2H3
InChIKeyZGRAUFXIXMHYQH-UHFFFAOYSA-N
XLogP2.49
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

1-(4-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
CID 62644970
1-(4-bromophenyl)-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63274523
1-(4-fluorophenyl)-N'-methyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
CID 62642970
1-(4-fluorophenyl)-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]propane-1,2-diamine
CID 107521169
1-(2,4-difluorophenyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 107521151
3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-amine
CID 62643869
1-(4-fluorophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 62645202
4-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63236434
1-(4-fluorophenyl)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-1-one
CID 63273502
1-(3-fluorophenyl)-N,N'-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63274437
N',1-bis(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62645224
1-(4-fluorophenyl)-N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 107521653

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propane-1,3-diamine?
The IUPAC name of 1-(4-fluorophenyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propane-1,3-diamine (CID 63236752) is 1-(4-fluorophenyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propane-1,3-diamine?
The canonical SMILES for 1-(4-fluorophenyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propane-1,3-diamine is CN1CCC(CN(C)CCC(N)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propane-1,3-diamine?
The InChIKey is ZGRAUFXIXMHYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN3/c1-20-10-7-14(8-11-20)13-21(2)12-9-17(19)15-3-5-16(18)6-4-15/h3-6,14,17H,7-13,19H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propane-1,3-diamine?
1-(4-fluorophenyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propane-1,3-diamine has a molecular weight of 293.43 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 63236752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).