2-[1-(3-aminopropyl)piperidin-4-yl]-4-fluorobenzonitrile;hydrochloride

C15H21ClFN3 — CID 18326590

IUPAC2-[1-(3-aminopropyl)piperidin-4-yl]-4-fluorobenzonitrile;hydrochloride
SMILESCl.N#Cc1ccc(F)cc1C1CCN(CCCN)CC1
InChIInChI=1S/C15H20FN3.ClH/c16-14-3-2-13(11-18)15(10-14)12-4-8-19(9-5-12)7-1-6-17;/h2-3,10,12H,1,4-9,17H2;1H
InChIKeyXEQZCYXCBRPKLR-UHFFFAOYSA-N
MW297.81 g/mol
LogP2.65
Rot. Bonds4

About 2-[1-(3-aminopropyl)piperidin-4-yl]-4-fluorobenzonitrile;hydrochloride

2-[1-(3-aminopropyl)piperidin-4-yl]-4-fluorobenzonitrile;hydrochloride (PubChem CID 18326590) has the molecular formula C15H21ClFN3 and a molecular weight of 297.81 g/mol. Its IUPAC name is 2-[1-(3-aminopropyl)piperidin-4-yl]-4-fluorobenzonitrile;hydrochloride.

Molecular Properties

Compound Name2-[1-(3-aminopropyl)piperidin-4-yl]-4-fluorobenzonitrile;hydrochloride
PubChem CID18326590
Molecular FormulaC15H21ClFN3
Molecular Weight297.81 g/mol
Exact Mass297.14
IUPAC Name2-[1-(3-aminopropyl)piperidin-4-yl]-4-fluorobenzonitrile;hydrochloride
SMILESCl.N#Cc1ccc(F)cc1C1CCN(CCCN)CC1
InChIInChI=1S/C15H20FN3.ClH/c16-14-3-2-13(11-18)15(10-14)12-4-8-19(9-5-12)7-1-6-17;/h2-3,10,12H,1,4-9,17H2;1H
InChIKeyXEQZCYXCBRPKLR-UHFFFAOYSA-N
XLogP2.65
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(3-aminopropyl)piperidin-4-yl]-4-fluorobenzonitrile;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-aminopropyl)piperidin-4-yl]-4-fluorobenzonitrile;hydrochloride?
The IUPAC name of 2-[1-(3-aminopropyl)piperidin-4-yl]-4-fluorobenzonitrile;hydrochloride (CID 18326590) is 2-[1-(3-aminopropyl)piperidin-4-yl]-4-fluorobenzonitrile;hydrochloride.
What is the SMILES notation for 2-[1-(3-aminopropyl)piperidin-4-yl]-4-fluorobenzonitrile;hydrochloride?
The canonical SMILES for 2-[1-(3-aminopropyl)piperidin-4-yl]-4-fluorobenzonitrile;hydrochloride is Cl.N#Cc1ccc(F)cc1C1CCN(CCCN)CC1.
What is the InChIKey of 2-[1-(3-aminopropyl)piperidin-4-yl]-4-fluorobenzonitrile;hydrochloride?
The InChIKey is XEQZCYXCBRPKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3.ClH/c16-14-3-2-13(11-18)15(10-14)12-4-8-19(9-5-12)7-1-6-17;/h2-3,10,12H,1,4-9,17H2;1H.
What are the key properties of 2-[1-(3-aminopropyl)piperidin-4-yl]-4-fluorobenzonitrile;hydrochloride?
2-[1-(3-aminopropyl)piperidin-4-yl]-4-fluorobenzonitrile;hydrochloride has a molecular weight of 297.81 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-aminopropyl)piperidin-4-yl]-4-fluorobenzonitrile;hydrochloride is sourced from PubChem (CID 18326590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).