2-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]benzonitrile;dihydrochloride

C16H23Cl2N3 — CID 171288069

IUPAC2-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]benzonitrile;dihydrochloride
SMILESCl.Cl.N#Cc1ccccc1[C@@H](CC1CC1)N1CCNCC1
InChIInChI=1S/C16H21N3.2ClH/c17-12-14-3-1-2-4-15(14)16(11-13-5-6-13)19-9-7-18-8-10-19;;/h1-4,13,16,18H,5-11H2;2*1H/t16-;;/m1../s1
InChIKeyAZBXFSZOFXHEOZ-GGMCWBHBSA-N
MW328.29 g/mol
LogP3.15
Rot. Bonds4

About 2-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]benzonitrile;dihydrochloride

2-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]benzonitrile;dihydrochloride (PubChem CID 171288069) has the molecular formula C16H23Cl2N3 and a molecular weight of 328.29 g/mol. Its IUPAC name is 2-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]benzonitrile;dihydrochloride.

Molecular Properties

Compound Name2-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]benzonitrile;dihydrochloride
PubChem CID171288069
Molecular FormulaC16H23Cl2N3
Molecular Weight328.29 g/mol
Exact Mass327.13
IUPAC Name2-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]benzonitrile;dihydrochloride
SMILESCl.Cl.N#Cc1ccccc1[C@@H](CC1CC1)N1CCNCC1
InChIInChI=1S/C16H21N3.2ClH/c17-12-14-3-1-2-4-15(14)16(11-13-5-6-13)19-9-7-18-8-10-19;;/h1-4,13,16,18H,5-11H2;2*1H/t16-;;/m1../s1
InChIKeyAZBXFSZOFXHEOZ-GGMCWBHBSA-N
XLogP3.15
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]benzonitrile;hydrochloride
CID 171189089
2-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]benzonitrile
CID 171189088
2-[(1R)-1-piperazin-1-ylpent-4-enyl]benzonitrile
CID 171288074
2-[(1R)-1-piperazin-1-ylpentyl]benzonitrile;dihydrochloride
CID 171307585
2-[(1R)-4-methyl-1-piperazin-1-ylpentyl]benzonitrile
CID 171310787
1-[(1S)-2-cyclopropyl-1-(2-nitrophenyl)ethyl]piperazine;dihydrochloride
CID 171272643
3-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]benzene-1,2-diol;dihydrochloride
CID 171287332
1-[(1S)-2-cyclopropyl-1-[2-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171165085
2-[(1S)-1-piperazin-1-ylhexyl]benzonitrile
CID 171308883
5-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-2-fluorobenzonitrile;dihydrochloride
CID 171281020
1-[(1S)-2-cyclopropyl-1-(2-ethoxyphenyl)ethyl]piperazine
CID 171275572
2-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-4-fluoro-3-hydroxybenzonitrile;dihydrochloride
CID 171298586

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]benzonitrile;dihydrochloride?
The IUPAC name of 2-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]benzonitrile;dihydrochloride (CID 171288069) is 2-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]benzonitrile;dihydrochloride.
What is the SMILES notation for 2-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]benzonitrile;dihydrochloride?
The canonical SMILES for 2-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]benzonitrile;dihydrochloride is Cl.Cl.N#Cc1ccccc1[C@@H](CC1CC1)N1CCNCC1.
What is the InChIKey of 2-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]benzonitrile;dihydrochloride?
The InChIKey is AZBXFSZOFXHEOZ-GGMCWBHBSA-N. The full InChI is InChI=1S/C16H21N3.2ClH/c17-12-14-3-1-2-4-15(14)16(11-13-5-6-13)19-9-7-18-8-10-19;;/h1-4,13,16,18H,5-11H2;2*1H/t16-;;/m1../s1.
What are the key properties of 2-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]benzonitrile;dihydrochloride?
2-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]benzonitrile;dihydrochloride has a molecular weight of 328.29 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]benzonitrile;dihydrochloride is sourced from PubChem (CID 171288069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).