1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine

C15H21IN2 — CID 171288681

IUPAC1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine
SMILESIc1ccc([C@@H](CC2CC2)N2CCNCC2)cc1
InChIInChI=1S/C15H21IN2/c16-14-5-3-13(4-6-14)15(11-12-1-2-12)18-9-7-17-8-10-18/h3-6,12,15,17H,1-2,7-11H2/t15-/m1/s1
InChIKeyJVSAUEUCYPCFMW-OAHLLOKOSA-N
MW356.25 g/mol
LogP3.04
Rot. Bonds4

About 1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine

1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine (PubChem CID 171288681) has the molecular formula C15H21IN2 and a molecular weight of 356.25 g/mol. Its IUPAC name is 1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine
PubChem CID171288681
Molecular FormulaC15H21IN2
Molecular Weight356.25 g/mol
Exact Mass356.07
IUPAC Name1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine
SMILESIc1ccc([C@@H](CC2CC2)N2CCNCC2)cc1
InChIInChI=1S/C15H21IN2/c16-14-5-3-13(4-6-14)15(11-12-1-2-12)18-9-7-17-8-10-18/h3-6,12,15,17H,1-2,7-11H2/t15-/m1/s1
InChIKeyJVSAUEUCYPCFMW-OAHLLOKOSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine;dihydrochloride
CID 171288682
1-[(1S)-2-cyclopropyl-1-(4-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171273249
4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171285197
1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine
CID 171292165
1-[(1S)-1-(4-tert-butylphenyl)-2-cyclopropylethyl]piperazine
CID 171275301
1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine;dihydrochloride
CID 171292166
4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-N,N-diethylaniline
CID 171279366
4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-2,6-diiodophenol;dihydrochloride
CID 171283888
1-[(1S)-1-(6-chloro-3-pyridinyl)-2-cyclopropylethyl]piperazine
CID 171276536
[4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]phenoxy]-trimethylsilane;dihydrochloride
CID 171279042
1-[(1R)-1-(3-chloro-4-methylphenyl)-2-cyclopropylethyl]piperazine
CID 171289842
1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine
CID 171163456

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine?
The IUPAC name of 1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine (CID 171288681) is 1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine.
What is the SMILES notation for 1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine?
The canonical SMILES for 1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine is Ic1ccc([C@@H](CC2CC2)N2CCNCC2)cc1.
What is the InChIKey of 1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine?
The InChIKey is JVSAUEUCYPCFMW-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H21IN2/c16-14-5-3-13(4-6-14)15(11-12-1-2-12)18-9-7-17-8-10-18/h3-6,12,15,17H,1-2,7-11H2/t15-/m1/s1.
What are the key properties of 1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine?
1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine has a molecular weight of 356.25 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine is sourced from PubChem (CID 171288681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).