2-chloro-6-(4-cyclopropylpiperazin-1-yl)aniline

C13H18ClN3 — CID 104834247

IUPAC2-chloro-6-(4-cyclopropylpiperazin-1-yl)aniline
SMILESNc1c(Cl)cccc1N1CCN(C2CC2)CC1
InChIInChI=1S/C13H18ClN3/c14-11-2-1-3-12(13(11)15)17-8-6-16(7-9-17)10-4-5-10/h1-3,10H,4-9,15H2
InChIKeyFZCCPLMUWKIGQT-UHFFFAOYSA-N
MW251.76 g/mol
LogP2.21
Rot. Bonds2

About 2-chloro-6-(4-cyclopropylpiperazin-1-yl)aniline

2-chloro-6-(4-cyclopropylpiperazin-1-yl)aniline (PubChem CID 104834247) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is 2-chloro-6-(4-cyclopropylpiperazin-1-yl)aniline.

Molecular Properties

Compound Name2-chloro-6-(4-cyclopropylpiperazin-1-yl)aniline
PubChem CID104834247
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC Name2-chloro-6-(4-cyclopropylpiperazin-1-yl)aniline
SMILESNc1c(Cl)cccc1N1CCN(C2CC2)CC1
InChIInChI=1S/C13H18ClN3/c14-11-2-1-3-12(13(11)15)17-8-6-16(7-9-17)10-4-5-10/h1-3,10H,4-9,15H2
InChIKeyFZCCPLMUWKIGQT-UHFFFAOYSA-N
XLogP2.21
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-(4-cyclopropylpiperazin-1-yl)benzoic acid
CID 61441756
1-[2-chloro-6-(4-cyclopropylpiperazin-1-yl)phenyl]-N-methylmethanamine
CID 61445796
3-[4-(2-chlorophenyl)piperazin-1-yl]cyclopentan-1-amine
CID 79468286
2-(8-azaspiro[4.5]decan-8-yl)-6-chloroaniline
CID 104834515
3-(4-cyclopropylpiperazin-1-yl)-2-methylaniline
CID 55147181
N-[[2-chloro-6-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 61445797
1-[2-(bromomethyl)-3-chlorophenyl]-4-cyclopentylpiperazine
CID 107082799
1-(3-bicyclo[3.2.1]octanyl)-4-(2-chlorophenyl)piperazine
CID 11381175
2-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]aniline
CID 104834492
2-chloro-6-(1,4-oxazepan-4-yl)aniline
CID 104834491
2-chloro-6-(3,3-dimethylpyrrolidin-1-yl)aniline
CID 104834721
[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]methanamine
CID 63089006

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-cyclopropylpiperazin-1-yl)aniline?
The IUPAC name of 2-chloro-6-(4-cyclopropylpiperazin-1-yl)aniline (CID 104834247) is 2-chloro-6-(4-cyclopropylpiperazin-1-yl)aniline.
What is the SMILES notation for 2-chloro-6-(4-cyclopropylpiperazin-1-yl)aniline?
The canonical SMILES for 2-chloro-6-(4-cyclopropylpiperazin-1-yl)aniline is Nc1c(Cl)cccc1N1CCN(C2CC2)CC1.
What is the InChIKey of 2-chloro-6-(4-cyclopropylpiperazin-1-yl)aniline?
The InChIKey is FZCCPLMUWKIGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3/c14-11-2-1-3-12(13(11)15)17-8-6-16(7-9-17)10-4-5-10/h1-3,10H,4-9,15H2.
What are the key properties of 2-chloro-6-(4-cyclopropylpiperazin-1-yl)aniline?
2-chloro-6-(4-cyclopropylpiperazin-1-yl)aniline has a molecular weight of 251.76 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-cyclopropylpiperazin-1-yl)aniline is sourced from PubChem (CID 104834247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).