4-chloro-2-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]aniline

C15H22ClN3 — CID 171295504

IUPAC4-chloro-2-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]aniline
SMILESNc1ccc(Cl)cc1[C@@H](CC1CC1)N1CCNCC1
InChIInChI=1S/C15H22ClN3/c16-12-3-4-14(17)13(10-12)15(9-11-1-2-11)19-7-5-18-6-8-19/h3-4,10-11,15,18H,1-2,5-9,17H2/t15-/m1/s1
InChIKeyNPYNLPFMLXPDTP-OAHLLOKOSA-N
MW279.81 g/mol
LogP2.67
Rot. Bonds4

About 4-chloro-2-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]aniline

4-chloro-2-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]aniline (PubChem CID 171295504) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 4-chloro-2-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]aniline.

Molecular Properties

Compound Name4-chloro-2-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]aniline
PubChem CID171295504
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name4-chloro-2-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]aniline
SMILESNc1ccc(Cl)cc1[C@@H](CC1CC1)N1CCNCC1
InChIInChI=1S/C15H22ClN3/c16-12-3-4-14(17)13(10-12)15(9-11-1-2-11)19-7-5-18-6-8-19/h3-4,10-11,15,18H,1-2,5-9,17H2/t15-/m1/s1
InChIKeyNPYNLPFMLXPDTP-OAHLLOKOSA-N
XLogP2.67
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(1R)-1-(5-chloro-2-fluorophenyl)-2-cyclopropylethyl]piperazine
CID 171169090
1-[(1R)-2-cyclopropyl-1-(2,4-dichlorophenyl)ethyl]piperazine
CID 171294486
1-[(1S)-2-cyclopropyl-1-(2,4-dichlorophenyl)ethyl]piperazine;dihydrochloride
CID 171281867
4-chloro-2-[(1S)-1-piperazin-1-ylbut-3-enyl]aniline;dihydrochloride
CID 171282867
1-[(1R)-2-cyclopropyl-1-(2,3,5-trichlorophenyl)ethyl]piperazine;dihydrochloride
CID 171295322
1-[(1S)-2-cyclopropyl-1-(2,3,5-trichlorophenyl)ethyl]piperazine;dihydrochloride
CID 171282702
1-[(1R)-2-cyclopropyl-1-(2-fluoro-5-iodophenyl)ethyl]piperazine;dihydrochloride
CID 171296703
1-[(1S)-2-cyclopropyl-1-(2,5-difluorophenyl)ethyl]piperazine;hydrochloride
CID 171164206
1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine
CID 171163456
2-chloro-6-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3-fluorophenol;dihydrochloride
CID 171297826
1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride
CID 171168859
1-[(1R)-1-(2-chloro-5-nitrophenyl)-2-cyclopropylethyl]piperazine
CID 171291282

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]aniline?
The IUPAC name of 4-chloro-2-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]aniline (CID 171295504) is 4-chloro-2-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]aniline.
What is the SMILES notation for 4-chloro-2-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]aniline?
The canonical SMILES for 4-chloro-2-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]aniline is Nc1ccc(Cl)cc1[C@@H](CC1CC1)N1CCNCC1.
What is the InChIKey of 4-chloro-2-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]aniline?
The InChIKey is NPYNLPFMLXPDTP-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H22ClN3/c16-12-3-4-14(17)13(10-12)15(9-11-1-2-11)19-7-5-18-6-8-19/h3-4,10-11,15,18H,1-2,5-9,17H2/t15-/m1/s1.
What are the key properties of 4-chloro-2-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]aniline?
4-chloro-2-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]aniline has a molecular weight of 279.81 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]aniline is sourced from PubChem (CID 171295504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).