1-(5-bromo-6-cyclopropyl-2-pyridinyl)-4-(cyclopropylmethyl)-2-methylpiperazine

C17H24BrN3 — CID 167756570

IUPAC1-(5-bromo-6-cyclopropyl-2-pyridinyl)-4-(cyclopropylmethyl)-2-methylpiperazine
SMILESCC1CN(CC2CC2)CCN1c1ccc(Br)c(C2CC2)n1
InChIInChI=1S/C17H24BrN3/c1-12-10-20(11-13-2-3-13)8-9-21(12)16-7-6-15(18)17(19-16)14-4-5-14/h6-7,12-14H,2-5,8-11H2,1H3
InChIKeyPFGVGIZLUGKEOM-UHFFFAOYSA-N
MW350.30 g/mol
LogP3.64
Rot. Bonds4

About 1-(5-bromo-6-cyclopropyl-2-pyridinyl)-4-(cyclopropylmethyl)-2-methylpiperazine

1-(5-bromo-6-cyclopropyl-2-pyridinyl)-4-(cyclopropylmethyl)-2-methylpiperazine (PubChem CID 167756570) has the molecular formula C17H24BrN3 and a molecular weight of 350.30 g/mol. Its IUPAC name is 1-(5-bromo-6-cyclopropyl-2-pyridinyl)-4-(cyclopropylmethyl)-2-methylpiperazine.

Molecular Properties

Compound Name1-(5-bromo-6-cyclopropyl-2-pyridinyl)-4-(cyclopropylmethyl)-2-methylpiperazine
PubChem CID167756570
Molecular FormulaC17H24BrN3
Molecular Weight350.30 g/mol
Exact Mass349.12
IUPAC Name1-(5-bromo-6-cyclopropyl-2-pyridinyl)-4-(cyclopropylmethyl)-2-methylpiperazine
SMILESCC1CN(CC2CC2)CCN1c1ccc(Br)c(C2CC2)n1
InChIInChI=1S/C17H24BrN3/c1-12-10-20(11-13-2-3-13)8-9-21(12)16-7-6-15(18)17(19-16)14-4-5-14/h6-7,12-14H,2-5,8-11H2,1H3
InChIKeyPFGVGIZLUGKEOM-UHFFFAOYSA-N
XLogP3.64
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-6-cyclopropyl-2-pyridinyl)-4-(cyclopropylmethyl)-2-methylpiperazine?
The IUPAC name of 1-(5-bromo-6-cyclopropyl-2-pyridinyl)-4-(cyclopropylmethyl)-2-methylpiperazine (CID 167756570) is 1-(5-bromo-6-cyclopropyl-2-pyridinyl)-4-(cyclopropylmethyl)-2-methylpiperazine.
What is the SMILES notation for 1-(5-bromo-6-cyclopropyl-2-pyridinyl)-4-(cyclopropylmethyl)-2-methylpiperazine?
The canonical SMILES for 1-(5-bromo-6-cyclopropyl-2-pyridinyl)-4-(cyclopropylmethyl)-2-methylpiperazine is CC1CN(CC2CC2)CCN1c1ccc(Br)c(C2CC2)n1.
What is the InChIKey of 1-(5-bromo-6-cyclopropyl-2-pyridinyl)-4-(cyclopropylmethyl)-2-methylpiperazine?
The InChIKey is PFGVGIZLUGKEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3/c1-12-10-20(11-13-2-3-13)8-9-21(12)16-7-6-15(18)17(19-16)14-4-5-14/h6-7,12-14H,2-5,8-11H2,1H3.
What are the key properties of 1-(5-bromo-6-cyclopropyl-2-pyridinyl)-4-(cyclopropylmethyl)-2-methylpiperazine?
1-(5-bromo-6-cyclopropyl-2-pyridinyl)-4-(cyclopropylmethyl)-2-methylpiperazine has a molecular weight of 350.30 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-6-cyclopropyl-2-pyridinyl)-4-(cyclopropylmethyl)-2-methylpiperazine is sourced from PubChem (CID 167756570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).