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

C18H27N3 — CID 43692381

IUPAC4-[1-[1-(1-ethylpiperidin-4-yl)ethylamino]ethyl]benzonitrile
SMILESCCN1CCC(C(C)NC(C)c2ccc(C#N)cc2)CC1
InChIInChI=1S/C18H27N3/c1-4-21-11-9-18(10-12-21)15(3)20-14(2)17-7-5-16(13-19)6-8-17/h5-8,14-15,18,20H,4,9-12H2,1-3H3
InChIKeyYNOLIDRNSWFIGH-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.33
Rot. Bonds5

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

4-[1-[1-(1-ethylpiperidin-4-yl)ethylamino]ethyl]benzonitrile (PubChem CID 43692381) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 4-[1-[1-(1-ethylpiperidin-4-yl)ethylamino]ethyl]benzonitrile.

Molecular Properties

Compound Name4-[1-[1-(1-ethylpiperidin-4-yl)ethylamino]ethyl]benzonitrile
PubChem CID43692381
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name4-[1-[1-(1-ethylpiperidin-4-yl)ethylamino]ethyl]benzonitrile
SMILESCCN1CCC(C(C)NC(C)c2ccc(C#N)cc2)CC1
InChIInChI=1S/C18H27N3/c1-4-21-11-9-18(10-12-21)15(3)20-14(2)17-7-5-16(13-19)6-8-17/h5-8,14-15,18,20H,4,9-12H2,1-3H3
InChIKeyYNOLIDRNSWFIGH-UHFFFAOYSA-N
XLogP3.33
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylpiperidin-4-yl)-N-[(1R)-1-(4-methylphenyl)ethyl]ethanamine
CID 81349060
4-[1-[1-(oxan-4-yl)ethylamino]ethyl]benzonitrile
CID 103768084
4-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]benzonitrile
CID 43692380
1-(1-ethylpiperidin-4-yl)-N-[(1S)-1-(3-methylphenyl)ethyl]ethanamine
CID 81363743
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine
CID 81349354
2-[4-[1-(1-cyclopropylethylamino)ethyl]phenoxy]acetonitrile
CID 43776527
1-(1-ethylpiperidin-4-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
CID 61473504
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(1-ethylpiperidin-4-yl)ethanamine
CID 81377394
4-[1-(propan-2-ylamino)ethyl]benzonitrile
CID 43190054
1-(1-propylpiperidin-4-yl)-N-[(1S)-1-pyridin-4-ylethyl]ethanamine
CID 81405583
N-[1-(4-methylphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 54863063
1-(1-ethylpiperidin-3-yl)-N-[(1R)-1-phenylethyl]ethanamine
CID 81351660

Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-(1-ethylpiperidin-4-yl)ethylamino]ethyl]benzonitrile?
The IUPAC name of 4-[1-[1-(1-ethylpiperidin-4-yl)ethylamino]ethyl]benzonitrile (CID 43692381) is 4-[1-[1-(1-ethylpiperidin-4-yl)ethylamino]ethyl]benzonitrile.
What is the SMILES notation for 4-[1-[1-(1-ethylpiperidin-4-yl)ethylamino]ethyl]benzonitrile?
The canonical SMILES for 4-[1-[1-(1-ethylpiperidin-4-yl)ethylamino]ethyl]benzonitrile is CCN1CCC(C(C)NC(C)c2ccc(C#N)cc2)CC1.
What is the InChIKey of 4-[1-[1-(1-ethylpiperidin-4-yl)ethylamino]ethyl]benzonitrile?
The InChIKey is YNOLIDRNSWFIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-4-21-11-9-18(10-12-21)15(3)20-14(2)17-7-5-16(13-19)6-8-17/h5-8,14-15,18,20H,4,9-12H2,1-3H3.
What are the key properties of 4-[1-[1-(1-ethylpiperidin-4-yl)ethylamino]ethyl]benzonitrile?
4-[1-[1-(1-ethylpiperidin-4-yl)ethylamino]ethyl]benzonitrile has a molecular weight of 285.44 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-(1-ethylpiperidin-4-yl)ethylamino]ethyl]benzonitrile is sourced from PubChem (CID 43692381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).