3-[(1-benzylpiperidin-4-yl)amino]-4-fluorobenzonitrile

C19H20FN3 — CID 21015031

IUPAC3-[(1-benzylpiperidin-4-yl)amino]-4-fluorobenzonitrile
SMILESN#Cc1ccc(F)c(NC2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C19H20FN3/c20-18-7-6-16(13-21)12-19(18)22-17-8-10-23(11-9-17)14-15-4-2-1-3-5-15/h1-7,12,17,22H,8-11,14H2
InChIKeyOQUCGLNSDQHYJL-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.77
Rot. Bonds4

About 3-[(1-benzylpiperidin-4-yl)amino]-4-fluorobenzonitrile

3-[(1-benzylpiperidin-4-yl)amino]-4-fluorobenzonitrile (PubChem CID 21015031) has the molecular formula C19H20FN3 and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-[(1-benzylpiperidin-4-yl)amino]-4-fluorobenzonitrile.

Molecular Properties

Compound Name3-[(1-benzylpiperidin-4-yl)amino]-4-fluorobenzonitrile
PubChem CID21015031
Molecular FormulaC19H20FN3
Molecular Weight309.39 g/mol
Exact Mass309.16
IUPAC Name3-[(1-benzylpiperidin-4-yl)amino]-4-fluorobenzonitrile
SMILESN#Cc1ccc(F)c(NC2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C19H20FN3/c20-18-7-6-16(13-21)12-19(18)22-17-8-10-23(11-9-17)14-15-4-2-1-3-5-15/h1-7,12,17,22H,8-11,14H2
InChIKeyOQUCGLNSDQHYJL-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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Related Compounds

4-[(1-benzylpiperidin-4-yl)amino]-3-nitrobenzonitrile
CID 16558687
2-N-(1-benzylpiperidin-4-yl)-4-chlorobenzene-1,2-diamine
CID 22922520
4-[[1-(cyanomethyl)piperidin-4-yl]amino]-3-fluorobenzonitrile
CID 63626255
1-N-(1-benzylpiperidin-4-yl)-4-fluorobenzene-1,2-diamine
CID 21193065
[4-[[4-(2-fluoroanilino)piperidin-1-yl]methyl]phenyl]methanol
CID 110009486
(1-benzylpiperidin-4-yl) 4-(4-cyano-2-fluorophenyl)piperazine-1-carboxylate
CID 166704412
4-(1-benzylpiperidin-4-yl)benzonitrile
CID 70029902
1-benzyl-N-(5-chloro-2-ethoxyphenyl)piperidin-4-amine
CID 113232473
6-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-3,5-difluoropyridine-2,6-diamine
CID 114074043
3-[[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]benzonitrile
CID 56814886
2-(1-benzylpiperidin-4-yl)-1,3-dihydroisoindole-5-carbonitrile
CID 94778714
6-[(1-benzylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile
CID 18133059

Frequently Asked Questions

What is the IUPAC name of 3-[(1-benzylpiperidin-4-yl)amino]-4-fluorobenzonitrile?
The IUPAC name of 3-[(1-benzylpiperidin-4-yl)amino]-4-fluorobenzonitrile (CID 21015031) is 3-[(1-benzylpiperidin-4-yl)amino]-4-fluorobenzonitrile.
What is the SMILES notation for 3-[(1-benzylpiperidin-4-yl)amino]-4-fluorobenzonitrile?
The canonical SMILES for 3-[(1-benzylpiperidin-4-yl)amino]-4-fluorobenzonitrile is N#Cc1ccc(F)c(NC2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of 3-[(1-benzylpiperidin-4-yl)amino]-4-fluorobenzonitrile?
The InChIKey is OQUCGLNSDQHYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3/c20-18-7-6-16(13-21)12-19(18)22-17-8-10-23(11-9-17)14-15-4-2-1-3-5-15/h1-7,12,17,22H,8-11,14H2.
What are the key properties of 3-[(1-benzylpiperidin-4-yl)amino]-4-fluorobenzonitrile?
3-[(1-benzylpiperidin-4-yl)amino]-4-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 3-[(1-benzylpiperidin-4-yl)amino]-4-fluorobenzonitrile is sourced from PubChem (CID 21015031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).