1-[4-(2-aminoethyl)phenyl]piperidin-4-ol

C13H20N2O — CID 83822441

IUPAC1-[4-(2-aminoethyl)phenyl]piperidin-4-ol
SMILESNCCc1ccc(N2CCC(O)CC2)cc1
InChIInChI=1S/C13H20N2O/c14-8-5-11-1-3-12(4-2-11)15-9-6-13(16)7-10-15/h1-4,13,16H,5-10,14H2
InChIKeyRUQZCPYWNKGAAV-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.15
Rot. Bonds3

About 1-[4-(2-aminoethyl)phenyl]piperidin-4-ol

1-[4-(2-aminoethyl)phenyl]piperidin-4-ol (PubChem CID 83822441) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-[4-(2-aminoethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[4-(2-aminoethyl)phenyl]piperidin-4-ol
PubChem CID83822441
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-[4-(2-aminoethyl)phenyl]piperidin-4-ol
SMILESNCCc1ccc(N2CCC(O)CC2)cc1
InChIInChI=1S/C13H20N2O/c14-8-5-11-1-3-12(4-2-11)15-9-6-13(16)7-10-15/h1-4,13,16H,5-10,14H2
InChIKeyRUQZCPYWNKGAAV-UHFFFAOYSA-N
XLogP1.15
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-[4-(2-aminoethyl)phenyl]piperidin-4-ol?
The IUPAC name of 1-[4-(2-aminoethyl)phenyl]piperidin-4-ol (CID 83822441) is 1-[4-(2-aminoethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[4-(2-aminoethyl)phenyl]piperidin-4-ol?
The canonical SMILES for 1-[4-(2-aminoethyl)phenyl]piperidin-4-ol is NCCc1ccc(N2CCC(O)CC2)cc1.
What is the InChIKey of 1-[4-(2-aminoethyl)phenyl]piperidin-4-ol?
The InChIKey is RUQZCPYWNKGAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c14-8-5-11-1-3-12(4-2-11)15-9-6-13(16)7-10-15/h1-4,13,16H,5-10,14H2.
What are the key properties of 1-[4-(2-aminoethyl)phenyl]piperidin-4-ol?
1-[4-(2-aminoethyl)phenyl]piperidin-4-ol has a molecular weight of 220.32 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminoethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 83822441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).