1-(3-fluorophenyl)-N-methyl-3-(2-propylpiperidin-1-yl)propan-1-amine

C18H29FN2 — CID 83046131

IUPAC1-(3-fluorophenyl)-N-methyl-3-(2-propylpiperidin-1-yl)propan-1-amine
SMILESCCCC1CCCCN1CCC(NC)c1cccc(F)c1
InChIInChI=1S/C18H29FN2/c1-3-7-17-10-4-5-12-21(17)13-11-18(20-2)15-8-6-9-16(19)14-15/h6,8-9,14,17-18,20H,3-5,7,10-13H2,1-2H3
InChIKeyROUUHCFLYBZYCR-UHFFFAOYSA-N
MW292.44 g/mol
LogP4.13
Rot. Bonds7

About 1-(3-fluorophenyl)-N-methyl-3-(2-propylpiperidin-1-yl)propan-1-amine

1-(3-fluorophenyl)-N-methyl-3-(2-propylpiperidin-1-yl)propan-1-amine (PubChem CID 83046131) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-methyl-3-(2-propylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-methyl-3-(2-propylpiperidin-1-yl)propan-1-amine
PubChem CID83046131
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Name1-(3-fluorophenyl)-N-methyl-3-(2-propylpiperidin-1-yl)propan-1-amine
SMILESCCCC1CCCCN1CCC(NC)c1cccc(F)c1
InChIInChI=1S/C18H29FN2/c1-3-7-17-10-4-5-12-21(17)13-11-18(20-2)15-8-6-9-16(19)14-15/h6,8-9,14,17-18,20H,3-5,7,10-13H2,1-2H3
InChIKeyROUUHCFLYBZYCR-UHFFFAOYSA-N
XLogP4.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(3-methylphenyl)-2-(2-propylpiperidin-1-yl)ethanamine
CID 83052318
[1-[3-(ethylamino)-3-(3-fluorophenyl)propyl]pyrrolidin-2-yl]methanol
CID 62644713
1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-ol
CID 62645441
1-(3-fluorophenyl)-N-methyl-3-(4-methylazepan-1-yl)propan-1-amine
CID 63624690
1-[3-(3-fluorophenyl)-3-(methylamino)propyl]pyrrolidin-3-ol
CID 62943222
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 79933339
3-(2,2-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 55160971
2-[1-[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]piperidin-2-yl]ethanol
CID 83110527
1-(3-fluorophenyl)-N-methyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine
CID 62645529
1-(3-fluorophenyl)-2-(2-propylpiperidin-1-yl)ethanone
CID 83056229
1-(3-fluorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]propan-1-amine
CID 114871000
1-(3-fluorophenyl)-N-methylheptan-1-amine
CID 62607373

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-methyl-3-(2-propylpiperidin-1-yl)propan-1-amine?
The IUPAC name of 1-(3-fluorophenyl)-N-methyl-3-(2-propylpiperidin-1-yl)propan-1-amine (CID 83046131) is 1-(3-fluorophenyl)-N-methyl-3-(2-propylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-methyl-3-(2-propylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for 1-(3-fluorophenyl)-N-methyl-3-(2-propylpiperidin-1-yl)propan-1-amine is CCCC1CCCCN1CCC(NC)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-methyl-3-(2-propylpiperidin-1-yl)propan-1-amine?
The InChIKey is ROUUHCFLYBZYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-3-7-17-10-4-5-12-21(17)13-11-18(20-2)15-8-6-9-16(19)14-15/h6,8-9,14,17-18,20H,3-5,7,10-13H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-N-methyl-3-(2-propylpiperidin-1-yl)propan-1-amine?
1-(3-fluorophenyl)-N-methyl-3-(2-propylpiperidin-1-yl)propan-1-amine has a molecular weight of 292.44 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-methyl-3-(2-propylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 83046131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).