1-[(R)-(2-bromo-4-pyridinyl)-cyclopropylmethyl]piperazine

C13H18BrN3 — CID 171289073

IUPAC1-[(R)-(2-bromo-4-pyridinyl)-cyclopropylmethyl]piperazine
SMILESBrc1cc([C@@H](C2CC2)N2CCNCC2)ccn1
InChIInChI=1S/C13H18BrN3/c14-12-9-11(3-4-16-12)13(10-1-2-10)17-7-5-15-6-8-17/h3-4,9-10,13,15H,1-2,5-8H2/t13-/m1/s1
InChIKeyYAJFREHRJBLNSW-CYBMUJFWSA-N
MW296.21 g/mol
LogP2.20
Rot. Bonds3

About 1-[(R)-(2-bromo-4-pyridinyl)-cyclopropylmethyl]piperazine

1-[(R)-(2-bromo-4-pyridinyl)-cyclopropylmethyl]piperazine (PubChem CID 171289073) has the molecular formula C13H18BrN3 and a molecular weight of 296.21 g/mol. Its IUPAC name is 1-[(R)-(2-bromo-4-pyridinyl)-cyclopropylmethyl]piperazine.

Molecular Properties

Compound Name1-[(R)-(2-bromo-4-pyridinyl)-cyclopropylmethyl]piperazine
PubChem CID171289073
Molecular FormulaC13H18BrN3
Molecular Weight296.21 g/mol
Exact Mass295.07
IUPAC Name1-[(R)-(2-bromo-4-pyridinyl)-cyclopropylmethyl]piperazine
SMILESBrc1cc([C@@H](C2CC2)N2CCNCC2)ccn1
InChIInChI=1S/C13H18BrN3/c14-12-9-11(3-4-16-12)13(10-1-2-10)17-7-5-15-6-8-17/h3-4,9-10,13,15H,1-2,5-8H2/t13-/m1/s1
InChIKeyYAJFREHRJBLNSW-CYBMUJFWSA-N
XLogP2.20
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[(1R)-1-(2-bromo-4-pyridinyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171289092
1-[(S)-cyclopentyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride
CID 171283648
1-[(S)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine
CID 28799283
1-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine
CID 28799286
1-[(S)-cyclohexyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride
CID 171283650
1-[(R)-cyclohexyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride
CID 171296270
1-[(S)-(6-chloro-3-pyridinyl)-cyclopropylmethyl]piperazine;dihydrochloride
CID 171276521
1-[(R)-(3-bromo-4-fluorophenyl)-cyclopentylmethyl]piperazine
CID 171168696
(1S,2S)-1-(2-bromo-4-pyridinyl)-2-cyclopropylethane-1,2-diamine
CID 131122759
1-[(S)-cyclopentyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171274925
1-[(R)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]piperazine
CID 28799243
5-[(R)-cyclopropyl(piperazin-1-yl)methyl]benzene-1,3-diol;dihydrochloride
CID 171286479

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(2-bromo-4-pyridinyl)-cyclopropylmethyl]piperazine?
The IUPAC name of 1-[(R)-(2-bromo-4-pyridinyl)-cyclopropylmethyl]piperazine (CID 171289073) is 1-[(R)-(2-bromo-4-pyridinyl)-cyclopropylmethyl]piperazine.
What is the SMILES notation for 1-[(R)-(2-bromo-4-pyridinyl)-cyclopropylmethyl]piperazine?
The canonical SMILES for 1-[(R)-(2-bromo-4-pyridinyl)-cyclopropylmethyl]piperazine is Brc1cc([C@@H](C2CC2)N2CCNCC2)ccn1.
What is the InChIKey of 1-[(R)-(2-bromo-4-pyridinyl)-cyclopropylmethyl]piperazine?
The InChIKey is YAJFREHRJBLNSW-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H18BrN3/c14-12-9-11(3-4-16-12)13(10-1-2-10)17-7-5-15-6-8-17/h3-4,9-10,13,15H,1-2,5-8H2/t13-/m1/s1.
What are the key properties of 1-[(R)-(2-bromo-4-pyridinyl)-cyclopropylmethyl]piperazine?
1-[(R)-(2-bromo-4-pyridinyl)-cyclopropylmethyl]piperazine has a molecular weight of 296.21 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(2-bromo-4-pyridinyl)-cyclopropylmethyl]piperazine is sourced from PubChem (CID 171289073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).