N'-[[4-(4-fluorophenyl)-1-pentylpiperidin-3-yl]methyl]propane-1,3-diamine

C20H34FN3 — CID 22079887

IUPACN'-[[4-(4-fluorophenyl)-1-pentylpiperidin-3-yl]methyl]propane-1,3-diamine
SMILESCCCCCN1CCC(c2ccc(F)cc2)C(CNCCCN)C1
InChIInChI=1S/C20H34FN3/c1-2-3-4-13-24-14-10-20(17-6-8-19(21)9-7-17)18(16-24)15-23-12-5-11-22/h6-9,18,20,23H,2-5,10-16,22H2,1H3
InChIKeyYNYKCTFHKKTCEZ-UHFFFAOYSA-N
MW335.51 g/mol
LogP3.36
Rot. Bonds10

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

N'-[[4-(4-fluorophenyl)-1-pentylpiperidin-3-yl]methyl]propane-1,3-diamine (PubChem CID 22079887) has the molecular formula C20H34FN3 and a molecular weight of 335.51 g/mol. Its IUPAC name is N'-[[4-(4-fluorophenyl)-1-pentylpiperidin-3-yl]methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[[4-(4-fluorophenyl)-1-pentylpiperidin-3-yl]methyl]propane-1,3-diamine
PubChem CID22079887
Molecular FormulaC20H34FN3
Molecular Weight335.51 g/mol
Exact Mass335.27
IUPAC NameN'-[[4-(4-fluorophenyl)-1-pentylpiperidin-3-yl]methyl]propane-1,3-diamine
SMILESCCCCCN1CCC(c2ccc(F)cc2)C(CNCCCN)C1
InChIInChI=1S/C20H34FN3/c1-2-3-4-13-24-14-10-20(17-6-8-19(21)9-7-17)18(16-24)15-23-12-5-11-22/h6-9,18,20,23H,2-5,10-16,22H2,1H3
InChIKeyYNYKCTFHKKTCEZ-UHFFFAOYSA-N
XLogP3.36
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.51
LogP ≤ 53.36
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'-[[4-(4-fluorophenyl)-1-pentylpiperidin-3-yl]methyl]propane-1,3-diamine?
The IUPAC name of N'-[[4-(4-fluorophenyl)-1-pentylpiperidin-3-yl]methyl]propane-1,3-diamine (CID 22079887) is N'-[[4-(4-fluorophenyl)-1-pentylpiperidin-3-yl]methyl]propane-1,3-diamine.
What is the SMILES notation for N'-[[4-(4-fluorophenyl)-1-pentylpiperidin-3-yl]methyl]propane-1,3-diamine?
The canonical SMILES for N'-[[4-(4-fluorophenyl)-1-pentylpiperidin-3-yl]methyl]propane-1,3-diamine is CCCCCN1CCC(c2ccc(F)cc2)C(CNCCCN)C1.
What is the InChIKey of N'-[[4-(4-fluorophenyl)-1-pentylpiperidin-3-yl]methyl]propane-1,3-diamine?
The InChIKey is YNYKCTFHKKTCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34FN3/c1-2-3-4-13-24-14-10-20(17-6-8-19(21)9-7-17)18(16-24)15-23-12-5-11-22/h6-9,18,20,23H,2-5,10-16,22H2,1H3.
What are the key properties of N'-[[4-(4-fluorophenyl)-1-pentylpiperidin-3-yl]methyl]propane-1,3-diamine?
N'-[[4-(4-fluorophenyl)-1-pentylpiperidin-3-yl]methyl]propane-1,3-diamine has a molecular weight of 335.51 g/mol, XLogP of 3.36, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-(4-fluorophenyl)-1-pentylpiperidin-3-yl]methyl]propane-1,3-diamine is sourced from PubChem (CID 22079887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).