N-(5-piperidin-1-ylpentyl)pyren-4-amine

C26H30N2 — CID 118721464

IUPACN-(5-piperidin-1-ylpentyl)pyren-4-amine
SMILESc1cc2ccc3cccc4c(NCCCCCN5CCCCC5)cc(c1)c2c34
InChIInChI=1S/C26H30N2/c1(4-16-28-17-5-2-6-18-28)3-15-27-24-19-22-11-7-9-20-13-14-21-10-8-12-23(24)26(21)25(20)22/h7-14,19,27H,1-6,15-18H2
InChIKeyYTJVVTGUYARBJK-UHFFFAOYSA-N
MW370.54 g/mol
LogP6.65
Rot. Bonds7

About N-(5-piperidin-1-ylpentyl)pyren-4-amine

N-(5-piperidin-1-ylpentyl)pyren-4-amine (PubChem CID 118721464) has the molecular formula C26H30N2 and a molecular weight of 370.54 g/mol. Its IUPAC name is N-(5-piperidin-1-ylpentyl)pyren-4-amine.

Molecular Properties

Compound NameN-(5-piperidin-1-ylpentyl)pyren-4-amine
PubChem CID118721464
Molecular FormulaC26H30N2
Molecular Weight370.54 g/mol
Exact Mass370.24
IUPAC NameN-(5-piperidin-1-ylpentyl)pyren-4-amine
SMILESc1cc2ccc3cccc4c(NCCCCCN5CCCCC5)cc(c1)c2c34
InChIInChI=1S/C26H30N2/c1(4-16-28-17-5-2-6-18-28)3-15-27-24-19-22-11-7-9-20-13-14-21-10-8-12-23(24)26(21)25(20)22/h7-14,19,27H,1-6,15-18H2
InChIKeyYTJVVTGUYARBJK-UHFFFAOYSA-N
XLogP6.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.54
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-piperidin-1-ylpentyl)pyren-4-amine?
The IUPAC name of N-(5-piperidin-1-ylpentyl)pyren-4-amine (CID 118721464) is N-(5-piperidin-1-ylpentyl)pyren-4-amine.
What is the SMILES notation for N-(5-piperidin-1-ylpentyl)pyren-4-amine?
The canonical SMILES for N-(5-piperidin-1-ylpentyl)pyren-4-amine is c1cc2ccc3cccc4c(NCCCCCN5CCCCC5)cc(c1)c2c34.
What is the InChIKey of N-(5-piperidin-1-ylpentyl)pyren-4-amine?
The InChIKey is YTJVVTGUYARBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2/c1(4-16-28-17-5-2-6-18-28)3-15-27-24-19-22-11-7-9-20-13-14-21-10-8-12-23(24)26(21)25(20)22/h7-14,19,27H,1-6,15-18H2.
What are the key properties of N-(5-piperidin-1-ylpentyl)pyren-4-amine?
N-(5-piperidin-1-ylpentyl)pyren-4-amine has a molecular weight of 370.54 g/mol, XLogP of 6.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-piperidin-1-ylpentyl)pyren-4-amine is sourced from PubChem (CID 118721464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).