N-[[5-bromo-2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine

C16H25BrN4 — CID 62289269

IUPACN-[[5-bromo-2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cc(Br)cnc1N1CCN(C2CC2)CC1
InChIInChI=1S/C16H25BrN4/c1-2-5-18-11-13-10-14(17)12-19-16(13)21-8-6-20(7-9-21)15-3-4-15/h10,12,15,18H,2-9,11H2,1H3
InChIKeyJYFQYCWJMWOHEP-UHFFFAOYSA-N
MW353.31 g/mol
LogP2.63
Rot. Bonds6

About N-[[5-bromo-2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine

N-[[5-bromo-2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 62289269) has the molecular formula C16H25BrN4 and a molecular weight of 353.31 g/mol. Its IUPAC name is N-[[5-bromo-2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-bromo-2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine
PubChem CID62289269
Molecular FormulaC16H25BrN4
Molecular Weight353.31 g/mol
Exact Mass352.13
IUPAC NameN-[[5-bromo-2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cc(Br)cnc1N1CCN(C2CC2)CC1
InChIInChI=1S/C16H25BrN4/c1-2-5-18-11-13-10-14(17)12-19-16(13)21-8-6-20(7-9-21)15-3-4-15/h10,12,15,18H,2-9,11H2,1H3
InChIKeyJYFQYCWJMWOHEP-UHFFFAOYSA-N
XLogP2.63
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[5-bromo-2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine (CID 62289269) is N-[[5-bromo-2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-bromo-2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-bromo-2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cc(Br)cnc1N1CCN(C2CC2)CC1.
What is the InChIKey of N-[[5-bromo-2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is JYFQYCWJMWOHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN4/c1-2-5-18-11-13-10-14(17)12-19-16(13)21-8-6-20(7-9-21)15-3-4-15/h10,12,15,18H,2-9,11H2,1H3.
What are the key properties of N-[[5-bromo-2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine?
N-[[5-bromo-2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 353.31 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 62289269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).