N'-[1-[4-(3-fluorophenyl)phenyl]piperidin-4-yl]propane-1,3-diamine

C20H26FN3 — CID 46990673

IUPACN'-[1-[4-(3-fluorophenyl)phenyl]piperidin-4-yl]propane-1,3-diamine
SMILESNCCCNC1CCN(c2ccc(-c3cccc(F)c3)cc2)CC1
InChIInChI=1S/C20H26FN3/c21-18-4-1-3-17(15-18)16-5-7-20(8-6-16)24-13-9-19(10-14-24)23-12-2-11-22/h1,3-8,15,19,23H,2,9-14,22H2
InChIKeyQLBFMPFWXLZSER-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.40
Rot. Bonds6

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

N'-[1-[4-(3-fluorophenyl)phenyl]piperidin-4-yl]propane-1,3-diamine (PubChem CID 46990673) has the molecular formula C20H26FN3 and a molecular weight of 327.45 g/mol. Its IUPAC name is N'-[1-[4-(3-fluorophenyl)phenyl]piperidin-4-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[1-[4-(3-fluorophenyl)phenyl]piperidin-4-yl]propane-1,3-diamine
PubChem CID46990673
Molecular FormulaC20H26FN3
Molecular Weight327.45 g/mol
Exact Mass327.21
IUPAC NameN'-[1-[4-(3-fluorophenyl)phenyl]piperidin-4-yl]propane-1,3-diamine
SMILESNCCCNC1CCN(c2ccc(-c3cccc(F)c3)cc2)CC1
InChIInChI=1S/C20H26FN3/c21-18-4-1-3-17(15-18)16-5-7-20(8-6-16)24-13-9-19(10-14-24)23-12-2-11-22/h1,3-8,15,19,23H,2,9-14,22H2
InChIKeyQLBFMPFWXLZSER-UHFFFAOYSA-N
XLogP3.40
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[1-[4-(3-fluorophenyl)phenyl]piperidin-4-yl]propane-1,3-diamine?
The IUPAC name of N'-[1-[4-(3-fluorophenyl)phenyl]piperidin-4-yl]propane-1,3-diamine (CID 46990673) is N'-[1-[4-(3-fluorophenyl)phenyl]piperidin-4-yl]propane-1,3-diamine.
What is the SMILES notation for N'-[1-[4-(3-fluorophenyl)phenyl]piperidin-4-yl]propane-1,3-diamine?
The canonical SMILES for N'-[1-[4-(3-fluorophenyl)phenyl]piperidin-4-yl]propane-1,3-diamine is NCCCNC1CCN(c2ccc(-c3cccc(F)c3)cc2)CC1.
What is the InChIKey of N'-[1-[4-(3-fluorophenyl)phenyl]piperidin-4-yl]propane-1,3-diamine?
The InChIKey is QLBFMPFWXLZSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3/c21-18-4-1-3-17(15-18)16-5-7-20(8-6-16)24-13-9-19(10-14-24)23-12-2-11-22/h1,3-8,15,19,23H,2,9-14,22H2.
What are the key properties of N'-[1-[4-(3-fluorophenyl)phenyl]piperidin-4-yl]propane-1,3-diamine?
N'-[1-[4-(3-fluorophenyl)phenyl]piperidin-4-yl]propane-1,3-diamine has a molecular weight of 327.45 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[4-(3-fluorophenyl)phenyl]piperidin-4-yl]propane-1,3-diamine is sourced from PubChem (CID 46990673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).