[3-(4-piperazin-1-ylphenyl)piperidin-4-yl]methanamine

C16H26N4 — CID 173046865

IUPAC[3-(4-piperazin-1-ylphenyl)piperidin-4-yl]methanamine
SMILESNCC1CCNCC1c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C16H26N4/c17-11-14-5-6-19-12-16(14)13-1-3-15(4-2-13)20-9-7-18-8-10-20/h1-4,14,16,18-19H,5-12,17H2
InChIKeyMOYGARPVLAZTDD-UHFFFAOYSA-N
MW274.41 g/mol
LogP0.75
Rot. Bonds3

About [3-(4-piperazin-1-ylphenyl)piperidin-4-yl]methanamine

[3-(4-piperazin-1-ylphenyl)piperidin-4-yl]methanamine (PubChem CID 173046865) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is [3-(4-piperazin-1-ylphenyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[3-(4-piperazin-1-ylphenyl)piperidin-4-yl]methanamine
PubChem CID173046865
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name[3-(4-piperazin-1-ylphenyl)piperidin-4-yl]methanamine
SMILESNCC1CCNCC1c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C16H26N4/c17-11-14-5-6-19-12-16(14)13-1-3-15(4-2-13)20-9-7-18-8-10-20/h1-4,14,16,18-19H,5-12,17H2
InChIKeyMOYGARPVLAZTDD-UHFFFAOYSA-N
XLogP0.75
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(4-piperazin-1-ylphenyl)piperidin-4-yl]methanamine?
The IUPAC name of [3-(4-piperazin-1-ylphenyl)piperidin-4-yl]methanamine (CID 173046865) is [3-(4-piperazin-1-ylphenyl)piperidin-4-yl]methanamine.
What is the SMILES notation for [3-(4-piperazin-1-ylphenyl)piperidin-4-yl]methanamine?
The canonical SMILES for [3-(4-piperazin-1-ylphenyl)piperidin-4-yl]methanamine is NCC1CCNCC1c1ccc(N2CCNCC2)cc1.
What is the InChIKey of [3-(4-piperazin-1-ylphenyl)piperidin-4-yl]methanamine?
The InChIKey is MOYGARPVLAZTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c17-11-14-5-6-19-12-16(14)13-1-3-15(4-2-13)20-9-7-18-8-10-20/h1-4,14,16,18-19H,5-12,17H2.
What are the key properties of [3-(4-piperazin-1-ylphenyl)piperidin-4-yl]methanamine?
[3-(4-piperazin-1-ylphenyl)piperidin-4-yl]methanamine has a molecular weight of 274.41 g/mol, XLogP of 0.75, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-piperazin-1-ylphenyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 173046865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).