5-[[(1-propylpiperidin-4-yl)amino]methyl]furan-2-carbonitrile

C14H21N3O — CID 115651654

IUPAC5-[[(1-propylpiperidin-4-yl)amino]methyl]furan-2-carbonitrile
SMILESCCCN1CCC(NCc2ccc(C#N)o2)CC1
InChIInChI=1S/C14H21N3O/c1-2-7-17-8-5-12(6-9-17)16-11-14-4-3-13(10-15)18-14/h3-4,12,16H,2,5-9,11H2,1H3
InChIKeyDUETWIVTIHNBQI-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.12
Rot. Bonds5

About 5-[[(1-propylpiperidin-4-yl)amino]methyl]furan-2-carbonitrile

5-[[(1-propylpiperidin-4-yl)amino]methyl]furan-2-carbonitrile (PubChem CID 115651654) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 5-[[(1-propylpiperidin-4-yl)amino]methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[[(1-propylpiperidin-4-yl)amino]methyl]furan-2-carbonitrile
PubChem CID115651654
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name5-[[(1-propylpiperidin-4-yl)amino]methyl]furan-2-carbonitrile
SMILESCCCN1CCC(NCc2ccc(C#N)o2)CC1
InChIInChI=1S/C14H21N3O/c1-2-7-17-8-5-12(6-9-17)16-11-14-4-3-13(10-15)18-14/h3-4,12,16H,2,5-9,11H2,1H3
InChIKeyDUETWIVTIHNBQI-UHFFFAOYSA-N
XLogP2.12
TPSA52.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]furan-2-carbonitrile
CID 115654984
5-[[(1-ethylpiperidin-3-yl)amino]methyl]furan-2-carbonitrile
CID 115652643
5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]furan-2-carbonitrile
CID 115652268
5-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]furan-2-carbonitrile
CID 115919748
5-[[(3-ethoxycyclobutyl)amino]methyl]furan-2-carbonitrile
CID 102610289
5-[[(3,3-dimethylcyclohexyl)amino]methyl]furan-2-carbonitrile
CID 113481560
2-fluoro-3-[[(1-propylpiperidin-4-yl)amino]methyl]benzonitrile
CID 107114501
1-ethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidin-4-amine
CID 60691616
5-[(2,2-dicyclopropylethylamino)methyl]furan-2-carbonitrile
CID 115656602
N-[(4-iodophenyl)methyl]-1-propylpiperidin-4-amine
CID 65479012
N-[(3,5-difluorophenyl)methyl]-1-propylpiperidin-4-amine
CID 115708311
N-[[5-[(4-ethylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62412903

Frequently Asked Questions

What is the IUPAC name of 5-[[(1-propylpiperidin-4-yl)amino]methyl]furan-2-carbonitrile?
The IUPAC name of 5-[[(1-propylpiperidin-4-yl)amino]methyl]furan-2-carbonitrile (CID 115651654) is 5-[[(1-propylpiperidin-4-yl)amino]methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[[(1-propylpiperidin-4-yl)amino]methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[[(1-propylpiperidin-4-yl)amino]methyl]furan-2-carbonitrile is CCCN1CCC(NCc2ccc(C#N)o2)CC1.
What is the InChIKey of 5-[[(1-propylpiperidin-4-yl)amino]methyl]furan-2-carbonitrile?
The InChIKey is DUETWIVTIHNBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-7-17-8-5-12(6-9-17)16-11-14-4-3-13(10-15)18-14/h3-4,12,16H,2,5-9,11H2,1H3.
What are the key properties of 5-[[(1-propylpiperidin-4-yl)amino]methyl]furan-2-carbonitrile?
5-[[(1-propylpiperidin-4-yl)amino]methyl]furan-2-carbonitrile has a molecular weight of 247.34 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-propylpiperidin-4-yl)amino]methyl]furan-2-carbonitrile is sourced from PubChem (CID 115651654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).