2-[(1-benzylpiperidin-4-yl)amino]-6-fluorobenzonitrile

C19H20FN3 — CID 2804378

IUPAC2-[(1-benzylpiperidin-4-yl)amino]-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H20FN3/c20-18-7-4-8-19(17(18)13-21)22-16-9-11-23(12-10-16)14-15-5-2-1-3-6-15/h1-8,16,22H,9-12,14H2
InChIKeyVKALFKHZVOJYKX-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.77
Rot. Bonds4

About 2-[(1-benzylpiperidin-4-yl)amino]-6-fluorobenzonitrile

2-[(1-benzylpiperidin-4-yl)amino]-6-fluorobenzonitrile (PubChem CID 2804378) has the molecular formula C19H20FN3 and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-[(1-benzylpiperidin-4-yl)amino]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[(1-benzylpiperidin-4-yl)amino]-6-fluorobenzonitrile
PubChem CID2804378
Molecular FormulaC19H20FN3
Molecular Weight309.39 g/mol
Exact Mass309.16
IUPAC Name2-[(1-benzylpiperidin-4-yl)amino]-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H20FN3/c20-18-7-4-8-19(17(18)13-21)22-16-9-11-23(12-10-16)14-15-5-2-1-3-6-15/h1-8,16,22H,9-12,14H2
InChIKeyVKALFKHZVOJYKX-UHFFFAOYSA-N
XLogP3.77
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpiperidin-4-yl)amino]-6-fluorobenzonitrile?
The IUPAC name of 2-[(1-benzylpiperidin-4-yl)amino]-6-fluorobenzonitrile (CID 2804378) is 2-[(1-benzylpiperidin-4-yl)amino]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[(1-benzylpiperidin-4-yl)amino]-6-fluorobenzonitrile?
The canonical SMILES for 2-[(1-benzylpiperidin-4-yl)amino]-6-fluorobenzonitrile is N#Cc1c(F)cccc1NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-[(1-benzylpiperidin-4-yl)amino]-6-fluorobenzonitrile?
The InChIKey is VKALFKHZVOJYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3/c20-18-7-4-8-19(17(18)13-21)22-16-9-11-23(12-10-16)14-15-5-2-1-3-6-15/h1-8,16,22H,9-12,14H2.
What are the key properties of 2-[(1-benzylpiperidin-4-yl)amino]-6-fluorobenzonitrile?
2-[(1-benzylpiperidin-4-yl)amino]-6-fluorobenzonitrile has a molecular weight of 309.39 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpiperidin-4-yl)amino]-6-fluorobenzonitrile is sourced from PubChem (CID 2804378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).