1-[(1S)-1-(6-bromo-2-pyridinyl)-2-cyclopropylethyl]piperazine

C14H20BrN3 — CID 171276428

IUPAC1-[(1S)-1-(6-bromo-2-pyridinyl)-2-cyclopropylethyl]piperazine
SMILESBrc1cccc([C@H](CC2CC2)N2CCNCC2)n1
InChIInChI=1S/C14H20BrN3/c15-14-3-1-2-12(17-14)13(10-11-4-5-11)18-8-6-16-7-9-18/h1-3,11,13,16H,4-10H2/t13-/m0/s1
InChIKeyNVIHNRXRCFAWBL-ZDUSSCGKSA-N
MW310.24 g/mol
LogP2.59
Rot. Bonds4

About 1-[(1S)-1-(6-bromo-2-pyridinyl)-2-cyclopropylethyl]piperazine

1-[(1S)-1-(6-bromo-2-pyridinyl)-2-cyclopropylethyl]piperazine (PubChem CID 171276428) has the molecular formula C14H20BrN3 and a molecular weight of 310.24 g/mol. Its IUPAC name is 1-[(1S)-1-(6-bromo-2-pyridinyl)-2-cyclopropylethyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(6-bromo-2-pyridinyl)-2-cyclopropylethyl]piperazine
PubChem CID171276428
Molecular FormulaC14H20BrN3
Molecular Weight310.24 g/mol
Exact Mass309.08
IUPAC Name1-[(1S)-1-(6-bromo-2-pyridinyl)-2-cyclopropylethyl]piperazine
SMILESBrc1cccc([C@H](CC2CC2)N2CCNCC2)n1
InChIInChI=1S/C14H20BrN3/c15-14-3-1-2-12(17-14)13(10-11-4-5-11)18-8-6-16-7-9-18/h1-3,11,13,16H,4-10H2/t13-/m0/s1
InChIKeyNVIHNRXRCFAWBL-ZDUSSCGKSA-N
XLogP2.59
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 52.59
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-(6-bromo-2-pyridinyl)propyl]piperazine;dihydrochloride
CID 171289028
1-[(1S)-1-(6-bromo-2-pyridinyl)but-3-enyl]piperazine;dihydrochloride
CID 171276411
1-[(1R)-1-(6-bromo-2-pyridinyl)butyl]piperazine;dihydrochloride
CID 171289052
2-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]quinoline;dihydrochloride
CID 171284607
1-[(1S)-1-(6-bromo-2-pyridinyl)hexyl]piperazine
CID 171308991
1-[(S)-(6-bromo-2-pyridinyl)-cyclobutylmethyl]piperazine;dihydrochloride
CID 171276415
1-[(1R)-2-cyclopropyl-1-(2,6-dichlorophenyl)ethyl]piperazine
CID 171284986
1-[(1S)-1-(3-bromo-2-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride
CID 171276706
1-[(1R)-2-cyclopropyl-1-thiophen-2-ylethyl]piperazine
CID 171294145
3-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]benzene-1,2-diol;dihydrochloride
CID 171287332
1-[(1S)-1-(6-bromo-2-pyridinyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171289031
1-[(1S)-2-cyclopropyl-1-thiophen-2-ylethyl]piperazine;dihydrochloride
CID 171281527

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(6-bromo-2-pyridinyl)-2-cyclopropylethyl]piperazine?
The IUPAC name of 1-[(1S)-1-(6-bromo-2-pyridinyl)-2-cyclopropylethyl]piperazine (CID 171276428) is 1-[(1S)-1-(6-bromo-2-pyridinyl)-2-cyclopropylethyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(6-bromo-2-pyridinyl)-2-cyclopropylethyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(6-bromo-2-pyridinyl)-2-cyclopropylethyl]piperazine is Brc1cccc([C@H](CC2CC2)N2CCNCC2)n1.
What is the InChIKey of 1-[(1S)-1-(6-bromo-2-pyridinyl)-2-cyclopropylethyl]piperazine?
The InChIKey is NVIHNRXRCFAWBL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20BrN3/c15-14-3-1-2-12(17-14)13(10-11-4-5-11)18-8-6-16-7-9-18/h1-3,11,13,16H,4-10H2/t13-/m0/s1.
What are the key properties of 1-[(1S)-1-(6-bromo-2-pyridinyl)-2-cyclopropylethyl]piperazine?
1-[(1S)-1-(6-bromo-2-pyridinyl)-2-cyclopropylethyl]piperazine has a molecular weight of 310.24 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(6-bromo-2-pyridinyl)-2-cyclopropylethyl]piperazine is sourced from PubChem (CID 171276428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).