1-(3-fluorophenyl)-3-(4-methylpiperidin-1-yl)propan-1-amine

C15H23FN2 — CID 62643218

IUPAC1-(3-fluorophenyl)-3-(4-methylpiperidin-1-yl)propan-1-amine
SMILESCC1CCN(CCC(N)c2cccc(F)c2)CC1
InChIInChI=1S/C15H23FN2/c1-12-5-8-18(9-6-12)10-7-15(17)13-3-2-4-14(16)11-13/h2-4,11-12,15H,5-10,17H2,1H3
InChIKeyFSPYIEAVQZHXIS-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.95
Rot. Bonds4

About 1-(3-fluorophenyl)-3-(4-methylpiperidin-1-yl)propan-1-amine

1-(3-fluorophenyl)-3-(4-methylpiperidin-1-yl)propan-1-amine (PubChem CID 62643218) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-(4-methylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-(4-methylpiperidin-1-yl)propan-1-amine
PubChem CID62643218
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name1-(3-fluorophenyl)-3-(4-methylpiperidin-1-yl)propan-1-amine
SMILESCC1CCN(CCC(N)c2cccc(F)c2)CC1
InChIInChI=1S/C15H23FN2/c1-12-5-8-18(9-6-12)10-7-15(17)13-3-2-4-14(16)11-13/h2-4,11-12,15H,5-10,17H2,1H3
InChIKeyFSPYIEAVQZHXIS-UHFFFAOYSA-N
XLogP2.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-(4-methylpiperidin-1-yl)propan-1-amine?
The IUPAC name of 1-(3-fluorophenyl)-3-(4-methylpiperidin-1-yl)propan-1-amine (CID 62643218) is 1-(3-fluorophenyl)-3-(4-methylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-3-(4-methylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for 1-(3-fluorophenyl)-3-(4-methylpiperidin-1-yl)propan-1-amine is CC1CCN(CCC(N)c2cccc(F)c2)CC1.
What is the InChIKey of 1-(3-fluorophenyl)-3-(4-methylpiperidin-1-yl)propan-1-amine?
The InChIKey is FSPYIEAVQZHXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-12-5-8-18(9-6-12)10-7-15(17)13-3-2-4-14(16)11-13/h2-4,11-12,15H,5-10,17H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-3-(4-methylpiperidin-1-yl)propan-1-amine?
1-(3-fluorophenyl)-3-(4-methylpiperidin-1-yl)propan-1-amine has a molecular weight of 250.36 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-(4-methylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 62643218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).