2-[ethyl(piperidin-2-ylmethyl)amino]-5-fluorobenzonitrile

C15H20FN3 — CID 106641641

IUPAC2-[ethyl(piperidin-2-ylmethyl)amino]-5-fluorobenzonitrile
SMILESCCN(CC1CCCCN1)c1ccc(F)cc1C#N
InChIInChI=1S/C15H20FN3/c1-2-19(11-14-5-3-4-8-18-14)15-7-6-13(16)9-12(15)10-17/h6-7,9,14,18H,2-5,8,11H2,1H3
InChIKeyNPZDKERTJXOUST-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.67
Rot. Bonds4

About 2-[ethyl(piperidin-2-ylmethyl)amino]-5-fluorobenzonitrile

2-[ethyl(piperidin-2-ylmethyl)amino]-5-fluorobenzonitrile (PubChem CID 106641641) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 2-[ethyl(piperidin-2-ylmethyl)amino]-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-[ethyl(piperidin-2-ylmethyl)amino]-5-fluorobenzonitrile
PubChem CID106641641
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name2-[ethyl(piperidin-2-ylmethyl)amino]-5-fluorobenzonitrile
SMILESCCN(CC1CCCCN1)c1ccc(F)cc1C#N
InChIInChI=1S/C15H20FN3/c1-2-19(11-14-5-3-4-8-18-14)15-7-6-13(16)9-12(15)10-17/h6-7,9,14,18H,2-5,8,11H2,1H3
InChIKeyNPZDKERTJXOUST-UHFFFAOYSA-N
XLogP2.67
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[ethyl(piperidin-2-ylmethyl)amino]methyl]-4-fluorobenzonitrile
CID 106632757
3-chloro-4-[ethyl(piperidin-2-ylmethyl)amino]benzonitrile
CID 106641555
4-fluoro-2-[[piperidin-2-ylmethyl(propyl)amino]methyl]benzonitrile
CID 106636161
3-[ethyl(piperidin-2-ylmethyl)amino]pyridazine-4-carbonitrile
CID 106641792
3-fluoro-4-[piperidin-2-ylmethyl(propyl)amino]benzonitrile
CID 106642506
2-bromo-6-[ethyl(piperidin-2-ylmethyl)amino]benzonitrile
CID 106641728
4-bromo-N-ethyl-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)aniline
CID 106641749
5-fluoro-2-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzonitrile
CID 106617979
N-ethyl-2-fluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
CID 102819482
4-[ethyl(pyrrolidin-2-ylmethyl)amino]-3-fluorobenzamide
CID 106619510
N-ethyl-3-fluoro-2-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106641710
3-bromo-4-[ethyl(piperidin-2-ylmethyl)amino]benzamide
CID 106641907

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(piperidin-2-ylmethyl)amino]-5-fluorobenzonitrile?
The IUPAC name of 2-[ethyl(piperidin-2-ylmethyl)amino]-5-fluorobenzonitrile (CID 106641641) is 2-[ethyl(piperidin-2-ylmethyl)amino]-5-fluorobenzonitrile.
What is the SMILES notation for 2-[ethyl(piperidin-2-ylmethyl)amino]-5-fluorobenzonitrile?
The canonical SMILES for 2-[ethyl(piperidin-2-ylmethyl)amino]-5-fluorobenzonitrile is CCN(CC1CCCCN1)c1ccc(F)cc1C#N.
What is the InChIKey of 2-[ethyl(piperidin-2-ylmethyl)amino]-5-fluorobenzonitrile?
The InChIKey is NPZDKERTJXOUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-2-19(11-14-5-3-4-8-18-14)15-7-6-13(16)9-12(15)10-17/h6-7,9,14,18H,2-5,8,11H2,1H3.
What are the key properties of 2-[ethyl(piperidin-2-ylmethyl)amino]-5-fluorobenzonitrile?
2-[ethyl(piperidin-2-ylmethyl)amino]-5-fluorobenzonitrile has a molecular weight of 261.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(piperidin-2-ylmethyl)amino]-5-fluorobenzonitrile is sourced from PubChem (CID 106641641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).