3-(2-fluorophenyl)-2-piperidin-1-ylpropan-1-amine

C14H21FN2 — CID 82083725

IUPAC3-(2-fluorophenyl)-2-piperidin-1-ylpropan-1-amine
SMILESNCC(Cc1ccccc1F)N1CCCCC1
InChIInChI=1S/C14H21FN2/c15-14-7-3-2-6-12(14)10-13(11-16)17-8-4-1-5-9-17/h2-3,6-7,13H,1,4-5,8-11,16H2
InChIKeyHUQJRZYCMBUZPU-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.18
Rot. Bonds4

About 3-(2-fluorophenyl)-2-piperidin-1-ylpropan-1-amine

3-(2-fluorophenyl)-2-piperidin-1-ylpropan-1-amine (PubChem CID 82083725) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2-piperidin-1-ylpropan-1-amine
PubChem CID82083725
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name3-(2-fluorophenyl)-2-piperidin-1-ylpropan-1-amine
SMILESNCC(Cc1ccccc1F)N1CCCCC1
InChIInChI=1S/C14H21FN2/c15-14-7-3-2-6-12(14)10-13(11-16)17-8-4-1-5-9-17/h2-3,6-7,13H,1,4-5,8-11,16H2
InChIKeyHUQJRZYCMBUZPU-UHFFFAOYSA-N
XLogP2.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-2-piperidin-1-ylpropan-1-amine?
The IUPAC name of 3-(2-fluorophenyl)-2-piperidin-1-ylpropan-1-amine (CID 82083725) is 3-(2-fluorophenyl)-2-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for 3-(2-fluorophenyl)-2-piperidin-1-ylpropan-1-amine?
The canonical SMILES for 3-(2-fluorophenyl)-2-piperidin-1-ylpropan-1-amine is NCC(Cc1ccccc1F)N1CCCCC1.
What is the InChIKey of 3-(2-fluorophenyl)-2-piperidin-1-ylpropan-1-amine?
The InChIKey is HUQJRZYCMBUZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c15-14-7-3-2-6-12(14)10-13(11-16)17-8-4-1-5-9-17/h2-3,6-7,13H,1,4-5,8-11,16H2.
What are the key properties of 3-(2-fluorophenyl)-2-piperidin-1-ylpropan-1-amine?
3-(2-fluorophenyl)-2-piperidin-1-ylpropan-1-amine has a molecular weight of 236.33 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 82083725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).