2-chloro-6-(2-piperidin-3-ylethylamino)benzonitrile

C14H18ClN3 — CID 63629760

IUPAC2-chloro-6-(2-piperidin-3-ylethylamino)benzonitrile
SMILESN#Cc1c(Cl)cccc1NCCC1CCCNC1
InChIInChI=1S/C14H18ClN3/c15-13-4-1-5-14(12(13)9-16)18-8-6-11-3-2-7-17-10-11/h1,4-5,11,17-18H,2-3,6-8,10H2
InChIKeyBJQBVZQPBVQMDZ-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.01
Rot. Bonds4

About 2-chloro-6-(2-piperidin-3-ylethylamino)benzonitrile

2-chloro-6-(2-piperidin-3-ylethylamino)benzonitrile (PubChem CID 63629760) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-chloro-6-(2-piperidin-3-ylethylamino)benzonitrile.

Molecular Properties

Compound Name2-chloro-6-(2-piperidin-3-ylethylamino)benzonitrile
PubChem CID63629760
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name2-chloro-6-(2-piperidin-3-ylethylamino)benzonitrile
SMILESN#Cc1c(Cl)cccc1NCCC1CCCNC1
InChIInChI=1S/C14H18ClN3/c15-13-4-1-5-14(12(13)9-16)18-8-6-11-3-2-7-17-10-11/h1,4-5,11,17-18H,2-3,6-8,10H2
InChIKeyBJQBVZQPBVQMDZ-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

2-chloro-6-(2-pyrrolidin-2-ylethylamino)benzonitrile
CID 114794369
4-chloro-2-(2-piperidin-3-ylethylamino)benzonitrile
CID 55247842
3-chloro-2-cyano-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 119976906
3-chloro-2-cyano-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 119968274
2-chloro-6-(2-piperidin-4-yloxyethylamino)benzonitrile
CID 63870686
2-chloro-6-(3-piperidin-4-yloxypropylamino)benzonitrile
CID 63871017
2-chloro-6-(piperidin-2-ylmethylamino)benzonitrile
CID 62497677
2-methylsulfonyl-N-(2-piperidin-3-ylethyl)aniline
CID 55247260
1-(2-chlorophenyl)-3-(2-piperidin-3-ylethyl)urea
CID 63628893
2-chloro-6-(2-cyanoethylamino)benzonitrile
CID 131065808
2-(2-aminoethylamino)-6-chlorobenzonitrile
CID 62496330
2,3,4-trimethyl-N-(2-piperidin-3-ylethyl)aniline
CID 115211299

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-piperidin-3-ylethylamino)benzonitrile?
The IUPAC name of 2-chloro-6-(2-piperidin-3-ylethylamino)benzonitrile (CID 63629760) is 2-chloro-6-(2-piperidin-3-ylethylamino)benzonitrile.
What is the SMILES notation for 2-chloro-6-(2-piperidin-3-ylethylamino)benzonitrile?
The canonical SMILES for 2-chloro-6-(2-piperidin-3-ylethylamino)benzonitrile is N#Cc1c(Cl)cccc1NCCC1CCCNC1.
What is the InChIKey of 2-chloro-6-(2-piperidin-3-ylethylamino)benzonitrile?
The InChIKey is BJQBVZQPBVQMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c15-13-4-1-5-14(12(13)9-16)18-8-6-11-3-2-7-17-10-11/h1,4-5,11,17-18H,2-3,6-8,10H2.
What are the key properties of 2-chloro-6-(2-piperidin-3-ylethylamino)benzonitrile?
2-chloro-6-(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 2-chloro-6-(2-piperidin-3-ylethylamino)benzonitrile is sourced from PubChem (CID 63629760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).