2-N-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]pyridine-2,5-diamine

C21H30N4O — CID 11249610

IUPAC2-N-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]pyridine-2,5-diamine
SMILESNc1ccc(NCCc2ccc(OCCCN3CCCCC3)cc2)nc1
InChIInChI=1S/C21H30N4O/c22-19-7-10-21(24-17-19)23-12-11-18-5-8-20(9-6-18)26-16-4-15-25-13-2-1-3-14-25/h5-10,17H,1-4,11-16,22H2,(H,23,24)
InChIKeySKLKYMNXKBBKKF-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.57
Rot. Bonds9

About 2-N-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]pyridine-2,5-diamine

2-N-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]pyridine-2,5-diamine (PubChem CID 11249610) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 2-N-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]pyridine-2,5-diamine
PubChem CID11249610
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name2-N-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]pyridine-2,5-diamine
SMILESNc1ccc(NCCc2ccc(OCCCN3CCCCC3)cc2)nc1
InChIInChI=1S/C21H30N4O/c22-19-7-10-21(24-17-19)23-12-11-18-5-8-20(9-6-18)26-16-4-15-25-13-2-1-3-14-25/h5-10,17H,1-4,11-16,22H2,(H,23,24)
InChIKeySKLKYMNXKBBKKF-UHFFFAOYSA-N
XLogP3.57
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]pyridine-2,5-diamine?
The IUPAC name of 2-N-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]pyridine-2,5-diamine (CID 11249610) is 2-N-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]pyridine-2,5-diamine.
What is the SMILES notation for 2-N-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]pyridine-2,5-diamine?
The canonical SMILES for 2-N-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]pyridine-2,5-diamine is Nc1ccc(NCCc2ccc(OCCCN3CCCCC3)cc2)nc1.
What is the InChIKey of 2-N-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]pyridine-2,5-diamine?
The InChIKey is SKLKYMNXKBBKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c22-19-7-10-21(24-17-19)23-12-11-18-5-8-20(9-6-18)26-16-4-15-25-13-2-1-3-14-25/h5-10,17H,1-4,11-16,22H2,(H,23,24).
What are the key properties of 2-N-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]pyridine-2,5-diamine?
2-N-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]pyridine-2,5-diamine has a molecular weight of 354.50 g/mol, XLogP of 3.57, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]pyridine-2,5-diamine is sourced from PubChem (CID 11249610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).