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

C15H23Cl2IN2 — CID 171288682

IUPAC1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine;dihydrochloride
SMILESCl.Cl.Ic1ccc([C@@H](CC2CC2)N2CCNCC2)cc1
InChIInChI=1S/C15H21IN2.2ClH/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;2*1H/t15-;;/m1../s1
InChIKeyNYBLXEWESIQHIF-QCUBGVIVSA-N
MW429.17 g/mol
LogP3.88
Rot. Bonds4

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

1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine;dihydrochloride (PubChem CID 171288682) has the molecular formula C15H23Cl2IN2 and a molecular weight of 429.17 g/mol. Its IUPAC name is 1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine;dihydrochloride
PubChem CID171288682
Molecular FormulaC15H23Cl2IN2
Molecular Weight429.17 g/mol
Exact Mass428.03
IUPAC Name1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine;dihydrochloride
SMILESCl.Cl.Ic1ccc([C@@H](CC2CC2)N2CCNCC2)cc1
InChIInChI=1S/C15H21IN2.2ClH/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;2*1H/t15-;;/m1../s1
InChIKeyNYBLXEWESIQHIF-QCUBGVIVSA-N
XLogP3.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.17
LogP ≤ 53.88
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
CID 171288681
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;dihydrochloride
CID 171292166
1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine
CID 171292165
1-[(1S)-1-(4-tert-butylphenyl)-2-cyclopropylethyl]piperazine
CID 171275301
4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-2,6-diiodophenol;dihydrochloride
CID 171283888
[4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]phenoxy]-trimethylsilane;dihydrochloride
CID 171279042
4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-N,N-diethylaniline
CID 171279366
1-[(1R)-2-cyclopropyl-1-(2-fluoro-5-iodophenyl)ethyl]piperazine;dihydrochloride
CID 171296703
5-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]benzene-1,3-diol;dihydrochloride
CID 171273867
1-[(1S)-1-(6-chloro-3-pyridinyl)-2-cyclopropylethyl]piperazine
CID 171276536

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine;dihydrochloride (CID 171288682) is 1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine;dihydrochloride is Cl.Cl.Ic1ccc([C@@H](CC2CC2)N2CCNCC2)cc1.
What is the InChIKey of 1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine;dihydrochloride?
The InChIKey is NYBLXEWESIQHIF-QCUBGVIVSA-N. The full InChI is InChI=1S/C15H21IN2.2ClH/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;2*1H/t15-;;/m1../s1.
What are the key properties of 1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine;dihydrochloride?
1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine;dihydrochloride has a molecular weight of 429.17 g/mol, XLogP of 3.88, 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;dihydrochloride is sourced from PubChem (CID 171288682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).