4-chloro-2-(2-piperidin-3-ylethylamino)benzonitrile

C14H18ClN3 — CID 55247842

IUPAC4-chloro-2-(2-piperidin-3-ylethylamino)benzonitrile
SMILESN#Cc1ccc(Cl)cc1NCCC1CCCNC1
InChIInChI=1S/C14H18ClN3/c15-13-4-3-12(9-16)14(8-13)18-7-5-11-2-1-6-17-10-11/h3-4,8,11,17-18H,1-2,5-7,10H2
InChIKeyKTXRHGVSFOUQII-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.01
Rot. Bonds4

About 4-chloro-2-(2-piperidin-3-ylethylamino)benzonitrile

4-chloro-2-(2-piperidin-3-ylethylamino)benzonitrile (PubChem CID 55247842) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 4-chloro-2-(2-piperidin-3-ylethylamino)benzonitrile.

Molecular Properties

Compound Name4-chloro-2-(2-piperidin-3-ylethylamino)benzonitrile
PubChem CID55247842
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name4-chloro-2-(2-piperidin-3-ylethylamino)benzonitrile
SMILESN#Cc1ccc(Cl)cc1NCCC1CCCNC1
InChIInChI=1S/C14H18ClN3/c15-13-4-3-12(9-16)14(8-13)18-7-5-11-2-1-6-17-10-11/h3-4,8,11,17-18H,1-2,5-7,10H2
InChIKeyKTXRHGVSFOUQII-UHFFFAOYSA-N
XLogP3.01
TPSA47.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 63629760
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CID 107931573
4-chloro-2-(3-piperidin-4-yloxypropylamino)benzonitrile
CID 63869174
N-[(5-chloro-2-fluorophenyl)methyl]-2-piperidin-3-ylethanamine
CID 117044344
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CID 63623817
2,3,4-trimethyl-N-(2-piperidin-3-ylethyl)aniline
CID 115211299
2-bromo-4-(2-pyrrolidin-3-ylethylamino)benzonitrile
CID 107280703
4-chloro-2-(2-pyrrolidin-3-ylethoxy)benzonitrile
CID 114796365
2-methyl-4-nitro-N-(2-piperidin-3-ylethyl)aniline
CID 55248421
4-chloro-5-fluoro-2-nitro-N-(2-piperidin-3-ylethyl)aniline
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4-chloro-2-[(1-methylpiperidin-3-yl)methylamino]benzonitrile
CID 62655811

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-piperidin-3-ylethylamino)benzonitrile?
The IUPAC name of 4-chloro-2-(2-piperidin-3-ylethylamino)benzonitrile (CID 55247842) is 4-chloro-2-(2-piperidin-3-ylethylamino)benzonitrile.
What is the SMILES notation for 4-chloro-2-(2-piperidin-3-ylethylamino)benzonitrile?
The canonical SMILES for 4-chloro-2-(2-piperidin-3-ylethylamino)benzonitrile is N#Cc1ccc(Cl)cc1NCCC1CCCNC1.
What is the InChIKey of 4-chloro-2-(2-piperidin-3-ylethylamino)benzonitrile?
The InChIKey is KTXRHGVSFOUQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c15-13-4-3-12(9-16)14(8-13)18-7-5-11-2-1-6-17-10-11/h3-4,8,11,17-18H,1-2,5-7,10H2.
What are the key properties of 4-chloro-2-(2-piperidin-3-ylethylamino)benzonitrile?
4-chloro-2-(2-piperidin-3-ylethylamino)benzonitrile has a molecular weight of 263.77 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-piperidin-3-ylethylamino)benzonitrile is sourced from PubChem (CID 55247842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).