1-[(R)-cyclohexyl-(3-iodophenyl)methyl]piperazine

C17H25IN2 — CID 171293328

IUPAC1-[(R)-cyclohexyl-(3-iodophenyl)methyl]piperazine
SMILESIc1cccc([C@@H](C2CCCCC2)N2CCNCC2)c1
InChIInChI=1S/C17H25IN2/c18-16-8-4-7-15(13-16)17(14-5-2-1-3-6-14)20-11-9-19-10-12-20/h4,7-8,13-14,17,19H,1-3,5-6,9-12H2/t17-/m1/s1
InChIKeyJHWKMBGLBIHMSP-QGZVFWFLSA-N
MW384.31 g/mol
LogP3.82
Rot. Bonds3

About 1-[(R)-cyclohexyl-(3-iodophenyl)methyl]piperazine

1-[(R)-cyclohexyl-(3-iodophenyl)methyl]piperazine (PubChem CID 171293328) has the molecular formula C17H25IN2 and a molecular weight of 384.31 g/mol. Its IUPAC name is 1-[(R)-cyclohexyl-(3-iodophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(R)-cyclohexyl-(3-iodophenyl)methyl]piperazine
PubChem CID171293328
Molecular FormulaC17H25IN2
Molecular Weight384.31 g/mol
Exact Mass384.11
IUPAC Name1-[(R)-cyclohexyl-(3-iodophenyl)methyl]piperazine
SMILESIc1cccc([C@@H](C2CCCCC2)N2CCNCC2)c1
InChIInChI=1S/C17H25IN2/c18-16-8-4-7-15(13-16)17(14-5-2-1-3-6-14)20-11-9-19-10-12-20/h4,7-8,13-14,17,19H,1-3,5-6,9-12H2/t17-/m1/s1
InChIKeyJHWKMBGLBIHMSP-QGZVFWFLSA-N
XLogP3.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 53.82
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-[(S)-cyclohexyl-(3-fluorophenyl)methyl]piperazine;hydrochloride
CID 171163455
1-[(R)-cyclohexyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171286720
1-[(S)-cyclopentyl-[3-(difluoromethoxy)phenyl]methyl]piperazine
CID 171165047
1-[(R)-cyclohexyl(naphthalen-2-yl)methyl]piperazine
CID 171287522
1-[(S)-cyclobutyl-(3-methylphenyl)methyl]piperazine;dihydrochloride
CID 171280342
1-[cyclobutyl(phenyl)methyl]piperazine
CID 82288990
4-[(S)-cyclohexyl(piperazin-1-yl)methyl]benzene-1,2-diol
CID 171272484
1-[(S)-cyclopentyl-(3-ethoxyphenyl)methyl]piperazine
CID 171277901
1-[(S)-cyclohexyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride
CID 171283650
1-[(S)-cyclopentyl(naphthalen-2-yl)methyl]piperazine;dihydrochloride
CID 171274893
1-[(R)-cyclohexyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride
CID 171296270
1-[(R)-cyclohexyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171287555

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclohexyl-(3-iodophenyl)methyl]piperazine?
The IUPAC name of 1-[(R)-cyclohexyl-(3-iodophenyl)methyl]piperazine (CID 171293328) is 1-[(R)-cyclohexyl-(3-iodophenyl)methyl]piperazine.
What is the SMILES notation for 1-[(R)-cyclohexyl-(3-iodophenyl)methyl]piperazine?
The canonical SMILES for 1-[(R)-cyclohexyl-(3-iodophenyl)methyl]piperazine is Ic1cccc([C@@H](C2CCCCC2)N2CCNCC2)c1.
What is the InChIKey of 1-[(R)-cyclohexyl-(3-iodophenyl)methyl]piperazine?
The InChIKey is JHWKMBGLBIHMSP-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H25IN2/c18-16-8-4-7-15(13-16)17(14-5-2-1-3-6-14)20-11-9-19-10-12-20/h4,7-8,13-14,17,19H,1-3,5-6,9-12H2/t17-/m1/s1.
What are the key properties of 1-[(R)-cyclohexyl-(3-iodophenyl)methyl]piperazine?
1-[(R)-cyclohexyl-(3-iodophenyl)methyl]piperazine has a molecular weight of 384.31 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclohexyl-(3-iodophenyl)methyl]piperazine is sourced from PubChem (CID 171293328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).