5-bromo-2-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]benzonitrile

C18H20BrN3O — CID 97214782

IUPAC5-bromo-2-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]benzonitrile
SMILESN#Cc1cc(Br)ccc1NC[C@H](c1ccco1)N1CCCCC1
InChIInChI=1S/C18H20BrN3O/c19-15-6-7-16(14(11-15)12-20)21-13-17(18-5-4-10-23-18)22-8-2-1-3-9-22/h4-7,10-11,17,21H,1-3,8-9,13H2/t17-/m1/s1
InChIKeyWEVDZXULKJXBRC-QGZVFWFLSA-N
MW374.28 g/mol
LogP4.55
Rot. Bonds5

About 5-bromo-2-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]benzonitrile

5-bromo-2-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]benzonitrile (PubChem CID 97214782) has the molecular formula C18H20BrN3O and a molecular weight of 374.28 g/mol. Its IUPAC name is 5-bromo-2-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]benzonitrile.

Molecular Properties

Compound Name5-bromo-2-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]benzonitrile
PubChem CID97214782
Molecular FormulaC18H20BrN3O
Molecular Weight374.28 g/mol
Exact Mass373.08
IUPAC Name5-bromo-2-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]benzonitrile
SMILESN#Cc1cc(Br)ccc1NC[C@H](c1ccco1)N1CCCCC1
InChIInChI=1S/C18H20BrN3O/c19-15-6-7-16(14(11-15)12-20)21-13-17(18-5-4-10-23-18)22-8-2-1-3-9-22/h4-7,10-11,17,21H,1-3,8-9,13H2/t17-/m1/s1
InChIKeyWEVDZXULKJXBRC-QGZVFWFLSA-N
XLogP4.55
TPSA52.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-nitrobenzonitrile
CID 16558694
4-bromo-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7944545
6-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]pyridine-3-carbonitrile
CID 51300917
4-bromo-2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]benzonitrile
CID 114002519
2-(azepan-1-yl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 22692497
N-[(4-bromothiophen-2-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 17483105
1-(3-bromophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]thiourea
CID 9235877
2-tert-butyl-5-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-1,3-oxazole-4-carbonitrile
CID 17013378
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylpropan-1-amine
CID 83380875
4-bromo-N-[3-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]benzamide
CID 26622015
2-(4-chlorophenyl)-5-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-1,3-oxazole-4-carbonitrile
CID 35345526
5-bromo-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide
CID 17490617

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]benzonitrile?
The IUPAC name of 5-bromo-2-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]benzonitrile (CID 97214782) is 5-bromo-2-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]benzonitrile.
What is the SMILES notation for 5-bromo-2-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]benzonitrile?
The canonical SMILES for 5-bromo-2-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]benzonitrile is N#Cc1cc(Br)ccc1NC[C@H](c1ccco1)N1CCCCC1.
What is the InChIKey of 5-bromo-2-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]benzonitrile?
The InChIKey is WEVDZXULKJXBRC-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20BrN3O/c19-15-6-7-16(14(11-15)12-20)21-13-17(18-5-4-10-23-18)22-8-2-1-3-9-22/h4-7,10-11,17,21H,1-3,8-9,13H2/t17-/m1/s1.
What are the key properties of 5-bromo-2-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]benzonitrile?
5-bromo-2-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]benzonitrile has a molecular weight of 374.28 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]benzonitrile is sourced from PubChem (CID 97214782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).