1-[[5-(3-chlorophenyl)-3-pyridinyl]methyl]-4-methylpiperazine

C17H20ClN3 — CID 42851810

IUPAC1-[[5-(3-chlorophenyl)-3-pyridinyl]methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2cncc(-c3cccc(Cl)c3)c2)CC1
InChIInChI=1S/C17H20ClN3/c1-20-5-7-21(8-6-20)13-14-9-16(12-19-11-14)15-3-2-4-17(18)10-15/h2-4,9-12H,5-8,13H2,1H3
InChIKeyBWDUFADUUDRDEY-UHFFFAOYSA-N
MW301.82 g/mol
LogP3.15
Rot. Bonds3

About 1-[[5-(3-chlorophenyl)-3-pyridinyl]methyl]-4-methylpiperazine

1-[[5-(3-chlorophenyl)-3-pyridinyl]methyl]-4-methylpiperazine (PubChem CID 42851810) has the molecular formula C17H20ClN3 and a molecular weight of 301.82 g/mol. Its IUPAC name is 1-[[5-(3-chlorophenyl)-3-pyridinyl]methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[[5-(3-chlorophenyl)-3-pyridinyl]methyl]-4-methylpiperazine
PubChem CID42851810
Molecular FormulaC17H20ClN3
Molecular Weight301.82 g/mol
Exact Mass301.13
IUPAC Name1-[[5-(3-chlorophenyl)-3-pyridinyl]methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2cncc(-c3cccc(Cl)c3)c2)CC1
InChIInChI=1S/C17H20ClN3/c1-20-5-7-21(8-6-20)13-14-9-16(12-19-11-14)15-3-2-4-17(18)10-15/h2-4,9-12H,5-8,13H2,1H3
InChIKeyBWDUFADUUDRDEY-UHFFFAOYSA-N
XLogP3.15
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(3-chlorophenyl)-3-pyridinyl]methyl]-4-methylpiperazine?
The IUPAC name of 1-[[5-(3-chlorophenyl)-3-pyridinyl]methyl]-4-methylpiperazine (CID 42851810) is 1-[[5-(3-chlorophenyl)-3-pyridinyl]methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[[5-(3-chlorophenyl)-3-pyridinyl]methyl]-4-methylpiperazine?
The canonical SMILES for 1-[[5-(3-chlorophenyl)-3-pyridinyl]methyl]-4-methylpiperazine is CN1CCN(Cc2cncc(-c3cccc(Cl)c3)c2)CC1.
What is the InChIKey of 1-[[5-(3-chlorophenyl)-3-pyridinyl]methyl]-4-methylpiperazine?
The InChIKey is BWDUFADUUDRDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3/c1-20-5-7-21(8-6-20)13-14-9-16(12-19-11-14)15-3-2-4-17(18)10-15/h2-4,9-12H,5-8,13H2,1H3.
What are the key properties of 1-[[5-(3-chlorophenyl)-3-pyridinyl]methyl]-4-methylpiperazine?
1-[[5-(3-chlorophenyl)-3-pyridinyl]methyl]-4-methylpiperazine has a molecular weight of 301.82 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(3-chlorophenyl)-3-pyridinyl]methyl]-4-methylpiperazine is sourced from PubChem (CID 42851810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).