1-(3-fluorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine

C17H26FN3 — CID 107521089

IUPAC1-(3-fluorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
SMILESNC(CN1CCC(N2CCCCC2)C1)c1cccc(F)c1
InChIInChI=1S/C17H26FN3/c18-15-6-4-5-14(11-15)17(19)13-20-10-7-16(12-20)21-8-2-1-3-9-21/h4-6,11,16-17H,1-3,7-10,12-13,19H2
InChIKeyQKYDURKRUOEQPK-UHFFFAOYSA-N
MW291.41 g/mol
LogP2.39
Rot. Bonds4

About 1-(3-fluorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine

1-(3-fluorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine (PubChem CID 107521089) has the molecular formula C17H26FN3 and a molecular weight of 291.41 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
PubChem CID107521089
Molecular FormulaC17H26FN3
Molecular Weight291.41 g/mol
Exact Mass291.21
IUPAC Name1-(3-fluorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
SMILESNC(CN1CCC(N2CCCCC2)C1)c1cccc(F)c1
InChIInChI=1S/C17H26FN3/c18-15-6-4-5-14(11-15)17(19)13-20-10-7-16(12-20)21-8-2-1-3-9-21/h4-6,11,16-17H,1-3,7-10,12-13,19H2
InChIKeyQKYDURKRUOEQPK-UHFFFAOYSA-N
XLogP2.39
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 1-(3-fluorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine (CID 107521089) is 1-(3-fluorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 1-(3-fluorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine is NC(CN1CCC(N2CCCCC2)C1)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine?
The InChIKey is QKYDURKRUOEQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3/c18-15-6-4-5-14(11-15)17(19)13-20-10-7-16(12-20)21-8-2-1-3-9-21/h4-6,11,16-17H,1-3,7-10,12-13,19H2.
What are the key properties of 1-(3-fluorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine?
1-(3-fluorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine has a molecular weight of 291.41 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 107521089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).