N-[(4-fluorophenyl)-[1-(3-phenoxypropyl)piperidin-4-yl]methyl]pyridin-2-amine

C26H30FN3O — CID 19771962

IUPACN-[(4-fluorophenyl)-[1-(3-phenoxypropyl)piperidin-4-yl]methyl]pyridin-2-amine
SMILESFc1ccc(C(Nc2ccccn2)C2CCN(CCCOc3ccccc3)CC2)cc1
InChIInChI=1S/C26H30FN3O/c27-23-12-10-21(11-13-23)26(29-25-9-4-5-16-28-25)22-14-18-30(19-15-22)17-6-20-31-24-7-2-1-3-8-24/h1-5,7-13,16,22,26H,6,14-15,17-20H2,(H,28,29)
InChIKeyCJURFIIVZPUGSZ-UHFFFAOYSA-N
MW419.54 g/mol
LogP5.55
Rot. Bonds9

About N-[(4-fluorophenyl)-[1-(3-phenoxypropyl)piperidin-4-yl]methyl]pyridin-2-amine

N-[(4-fluorophenyl)-[1-(3-phenoxypropyl)piperidin-4-yl]methyl]pyridin-2-amine (PubChem CID 19771962) has the molecular formula C26H30FN3O and a molecular weight of 419.54 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-[1-(3-phenoxypropyl)piperidin-4-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-[1-(3-phenoxypropyl)piperidin-4-yl]methyl]pyridin-2-amine
PubChem CID19771962
Molecular FormulaC26H30FN3O
Molecular Weight419.54 g/mol
Exact Mass419.24
IUPAC NameN-[(4-fluorophenyl)-[1-(3-phenoxypropyl)piperidin-4-yl]methyl]pyridin-2-amine
SMILESFc1ccc(C(Nc2ccccn2)C2CCN(CCCOc3ccccc3)CC2)cc1
InChIInChI=1S/C26H30FN3O/c27-23-12-10-21(11-13-23)26(29-25-9-4-5-16-28-25)22-14-18-30(19-15-22)17-6-20-31-24-7-2-1-3-8-24/h1-5,7-13,16,22,26H,6,14-15,17-20H2,(H,28,29)
InChIKeyCJURFIIVZPUGSZ-UHFFFAOYSA-N
XLogP5.55
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.54
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-fluorophenyl)-[1-(3-phenoxypropyl)piperidin-4-yl]methyl]pyridin-2-amine?
The IUPAC name of N-[(4-fluorophenyl)-[1-(3-phenoxypropyl)piperidin-4-yl]methyl]pyridin-2-amine (CID 19771962) is N-[(4-fluorophenyl)-[1-(3-phenoxypropyl)piperidin-4-yl]methyl]pyridin-2-amine.
What is the SMILES notation for N-[(4-fluorophenyl)-[1-(3-phenoxypropyl)piperidin-4-yl]methyl]pyridin-2-amine?
The canonical SMILES for N-[(4-fluorophenyl)-[1-(3-phenoxypropyl)piperidin-4-yl]methyl]pyridin-2-amine is Fc1ccc(C(Nc2ccccn2)C2CCN(CCCOc3ccccc3)CC2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)-[1-(3-phenoxypropyl)piperidin-4-yl]methyl]pyridin-2-amine?
The InChIKey is CJURFIIVZPUGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O/c27-23-12-10-21(11-13-23)26(29-25-9-4-5-16-28-25)22-14-18-30(19-15-22)17-6-20-31-24-7-2-1-3-8-24/h1-5,7-13,16,22,26H,6,14-15,17-20H2,(H,28,29).
What are the key properties of N-[(4-fluorophenyl)-[1-(3-phenoxypropyl)piperidin-4-yl]methyl]pyridin-2-amine?
N-[(4-fluorophenyl)-[1-(3-phenoxypropyl)piperidin-4-yl]methyl]pyridin-2-amine has a molecular weight of 419.54 g/mol, XLogP of 5.55, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-[1-(3-phenoxypropyl)piperidin-4-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 19771962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).