3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-4-fluorobenzonitrile

C15H20FN3 — CID 63256041

IUPAC3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-4-fluorobenzonitrile
SMILESCC(N)C1CCCCN1Cc1cc(C#N)ccc1F
InChIInChI=1S/C15H20FN3/c1-11(18)15-4-2-3-7-19(15)10-13-8-12(9-17)5-6-14(13)16/h5-6,8,11,15H,2-4,7,10,18H2,1H3
InChIKeyVHHVNFMJVSFPSJ-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.40
Rot. Bonds3

About 3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-4-fluorobenzonitrile

3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-4-fluorobenzonitrile (PubChem CID 63256041) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-4-fluorobenzonitrile.

Molecular Properties

Compound Name3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-4-fluorobenzonitrile
PubChem CID63256041
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-4-fluorobenzonitrile
SMILESCC(N)C1CCCCN1Cc1cc(C#N)ccc1F
InChIInChI=1S/C15H20FN3/c1-11(18)15-4-2-3-7-19(15)10-13-8-12(9-17)5-6-14(13)16/h5-6,8,11,15H,2-4,7,10,18H2,1H3
InChIKeyVHHVNFMJVSFPSJ-UHFFFAOYSA-N
XLogP2.40
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-4-fluorobenzonitrile with MolForge

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

Launch Full Analysis

Related Compounds

1-[1-[(5-bromo-2-fluorophenyl)methyl]piperidin-2-yl]ethanamine
CID 55170113
3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]benzonitrile
CID 63254536
3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-fluorobenzonitrile
CID 102726395
3-[(2,3-dimethylpiperidin-1-yl)methyl]-4-fluorobenzonitrile
CID 55040035
4-fluoro-3-[[2-(2-oxopropyl)piperidin-1-yl]methyl]benzonitrile
CID 79539115
2-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-4-chlorophenol
CID 63254307
1-[1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-2-yl]ethanamine
CID 55168778
1-[1-[(2-chlorothiophen-3-yl)methyl]piperidin-2-yl]ethanamine
CID 120897041
1-[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]-N-methylethanamine
CID 63852929
4-fluoro-3-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]benzonitrile
CID 86953348
1-[1-[(2,4-dimethylphenyl)methyl]piperidin-2-yl]ethanamine
CID 63254150
4-fluoro-3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]benzonitrile
CID 113254203

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-4-fluorobenzonitrile?
The IUPAC name of 3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-4-fluorobenzonitrile (CID 63256041) is 3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-4-fluorobenzonitrile.
What is the SMILES notation for 3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-4-fluorobenzonitrile?
The canonical SMILES for 3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-4-fluorobenzonitrile is CC(N)C1CCCCN1Cc1cc(C#N)ccc1F.
What is the InChIKey of 3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-4-fluorobenzonitrile?
The InChIKey is VHHVNFMJVSFPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-11(18)15-4-2-3-7-19(15)10-13-8-12(9-17)5-6-14(13)16/h5-6,8,11,15H,2-4,7,10,18H2,1H3.
What are the key properties of 3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-4-fluorobenzonitrile?
3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-4-fluorobenzonitrile has a molecular weight of 261.34 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-4-fluorobenzonitrile is sourced from PubChem (CID 63256041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).