[4-(4-propylpiperazin-1-yl)-3-pyridinyl]methanamine

C13H22N4 — CID 81248717

IUPAC[4-(4-propylpiperazin-1-yl)-3-pyridinyl]methanamine
SMILESCCCN1CCN(c2ccncc2CN)CC1
InChIInChI=1S/C13H22N4/c1-2-5-16-6-8-17(9-7-16)13-3-4-15-11-12(13)10-14/h3-4,11H,2,5-10,14H2,1H3
InChIKeyVYDUACMEQXVWBD-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.07
Rot. Bonds4

About [4-(4-propylpiperazin-1-yl)-3-pyridinyl]methanamine

[4-(4-propylpiperazin-1-yl)-3-pyridinyl]methanamine (PubChem CID 81248717) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is [4-(4-propylpiperazin-1-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(4-propylpiperazin-1-yl)-3-pyridinyl]methanamine
PubChem CID81248717
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name[4-(4-propylpiperazin-1-yl)-3-pyridinyl]methanamine
SMILESCCCN1CCN(c2ccncc2CN)CC1
InChIInChI=1S/C13H22N4/c1-2-5-16-6-8-17(9-7-16)13-3-4-15-11-12(13)10-14/h3-4,11H,2,5-10,14H2,1H3
InChIKeyVYDUACMEQXVWBD-UHFFFAOYSA-N
XLogP1.07
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-propylpiperazin-1-yl)-3-pyridinyl]methanamine?
The IUPAC name of [4-(4-propylpiperazin-1-yl)-3-pyridinyl]methanamine (CID 81248717) is [4-(4-propylpiperazin-1-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for [4-(4-propylpiperazin-1-yl)-3-pyridinyl]methanamine?
The canonical SMILES for [4-(4-propylpiperazin-1-yl)-3-pyridinyl]methanamine is CCCN1CCN(c2ccncc2CN)CC1.
What is the InChIKey of [4-(4-propylpiperazin-1-yl)-3-pyridinyl]methanamine?
The InChIKey is VYDUACMEQXVWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-2-5-16-6-8-17(9-7-16)13-3-4-15-11-12(13)10-14/h3-4,11H,2,5-10,14H2,1H3.
What are the key properties of [4-(4-propylpiperazin-1-yl)-3-pyridinyl]methanamine?
[4-(4-propylpiperazin-1-yl)-3-pyridinyl]methanamine has a molecular weight of 234.35 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-propylpiperazin-1-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 81248717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).