[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]methanamine

C17H22N4 — CID 62299103

IUPAC[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]methanamine
SMILESNCc1cc(N2CCN(Cc3ccccc3)CC2)ccn1
InChIInChI=1S/C17H22N4/c18-13-16-12-17(6-7-19-16)21-10-8-20(9-11-21)14-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14,18H2
InChIKeyRZKWMWKLGWISPA-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.86
Rot. Bonds4

About [4-(4-benzylpiperazin-1-yl)-2-pyridinyl]methanamine

[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]methanamine (PubChem CID 62299103) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is [4-(4-benzylpiperazin-1-yl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]methanamine
PubChem CID62299103
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]methanamine
SMILESNCc1cc(N2CCN(Cc3ccccc3)CC2)ccn1
InChIInChI=1S/C17H22N4/c18-13-16-12-17(6-7-19-16)21-10-8-20(9-11-21)14-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14,18H2
InChIKeyRZKWMWKLGWISPA-UHFFFAOYSA-N
XLogP1.86
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-benzylpiperazin-1-yl)-2-pyridinyl]methanamine?
The IUPAC name of [4-(4-benzylpiperazin-1-yl)-2-pyridinyl]methanamine (CID 62299103) is [4-(4-benzylpiperazin-1-yl)-2-pyridinyl]methanamine.
What is the SMILES notation for [4-(4-benzylpiperazin-1-yl)-2-pyridinyl]methanamine?
The canonical SMILES for [4-(4-benzylpiperazin-1-yl)-2-pyridinyl]methanamine is NCc1cc(N2CCN(Cc3ccccc3)CC2)ccn1.
What is the InChIKey of [4-(4-benzylpiperazin-1-yl)-2-pyridinyl]methanamine?
The InChIKey is RZKWMWKLGWISPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c18-13-16-12-17(6-7-19-16)21-10-8-20(9-11-21)14-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14,18H2.
What are the key properties of [4-(4-benzylpiperazin-1-yl)-2-pyridinyl]methanamine?
[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]methanamine has a molecular weight of 282.39 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-benzylpiperazin-1-yl)-2-pyridinyl]methanamine is sourced from PubChem (CID 62299103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).