4-[1-(1-ethylpiperidin-3-yl)ethylamino]benzonitrile

C16H23N3 — CID 43307943

IUPAC4-[1-(1-ethylpiperidin-3-yl)ethylamino]benzonitrile
SMILESCCN1CCCC(C(C)Nc2ccc(C#N)cc2)C1
InChIInChI=1S/C16H23N3/c1-3-19-10-4-5-15(12-19)13(2)18-16-8-6-14(11-17)7-9-16/h6-9,13,15,18H,3-5,10,12H2,1-2H3
InChIKeyLUFPGOJFKZZEGO-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.09
Rot. Bonds4

About 4-[1-(1-ethylpiperidin-3-yl)ethylamino]benzonitrile

4-[1-(1-ethylpiperidin-3-yl)ethylamino]benzonitrile (PubChem CID 43307943) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-[1-(1-ethylpiperidin-3-yl)ethylamino]benzonitrile.

Molecular Properties

Compound Name4-[1-(1-ethylpiperidin-3-yl)ethylamino]benzonitrile
PubChem CID43307943
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name4-[1-(1-ethylpiperidin-3-yl)ethylamino]benzonitrile
SMILESCCN1CCCC(C(C)Nc2ccc(C#N)cc2)C1
InChIInChI=1S/C16H23N3/c1-3-19-10-4-5-15(12-19)13(2)18-16-8-6-14(11-17)7-9-16/h6-9,13,15,18H,3-5,10,12H2,1-2H3
InChIKeyLUFPGOJFKZZEGO-UHFFFAOYSA-N
XLogP3.09
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-propan-2-ylaniline
CID 43307715
N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-(trifluoromethyl)aniline
CID 43307675
[4-[1-(1-ethylpiperidin-3-yl)ethylamino]phenyl]urea
CID 43744846
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4-difluoroaniline
CID 43307811
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3-ethynylaniline
CID 43307335
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4,5-trifluoroaniline
CID 62810700
5-[1-(1-ethylpiperidin-3-yl)ethylamino]-1-propylpyridin-2-one
CID 60942690
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,5-dimethoxyaniline
CID 43307671
4-iodo-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43308678
N-[3-[1-(1-ethylpiperidin-3-yl)ethylamino]phenyl]acetamide
CID 43307791
N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methyl-1,3-benzoxazol-5-amine
CID 43308421
4-chloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-iodoaniline
CID 107632479

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-ethylpiperidin-3-yl)ethylamino]benzonitrile?
The IUPAC name of 4-[1-(1-ethylpiperidin-3-yl)ethylamino]benzonitrile (CID 43307943) is 4-[1-(1-ethylpiperidin-3-yl)ethylamino]benzonitrile.
What is the SMILES notation for 4-[1-(1-ethylpiperidin-3-yl)ethylamino]benzonitrile?
The canonical SMILES for 4-[1-(1-ethylpiperidin-3-yl)ethylamino]benzonitrile is CCN1CCCC(C(C)Nc2ccc(C#N)cc2)C1.
What is the InChIKey of 4-[1-(1-ethylpiperidin-3-yl)ethylamino]benzonitrile?
The InChIKey is LUFPGOJFKZZEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-19-10-4-5-15(12-19)13(2)18-16-8-6-14(11-17)7-9-16/h6-9,13,15,18H,3-5,10,12H2,1-2H3.
What are the key properties of 4-[1-(1-ethylpiperidin-3-yl)ethylamino]benzonitrile?
4-[1-(1-ethylpiperidin-3-yl)ethylamino]benzonitrile has a molecular weight of 257.38 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-ethylpiperidin-3-yl)ethylamino]benzonitrile is sourced from PubChem (CID 43307943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).