1-(4-amino-3-propoxyphenyl)piperidin-4-ol

C14H22N2O2 — CID 63672435

IUPAC1-(4-amino-3-propoxyphenyl)piperidin-4-ol
SMILESCCCOc1cc(N2CCC(O)CC2)ccc1N
InChIInChI=1S/C14H22N2O2/c1-2-9-18-14-10-11(3-4-13(14)15)16-7-5-12(17)6-8-16/h3-4,10,12,17H,2,5-9,15H2,1H3
InChIKeyBHYAFYUUKPWFQI-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.02
Rot. Bonds4

About 1-(4-amino-3-propoxyphenyl)piperidin-4-ol

1-(4-amino-3-propoxyphenyl)piperidin-4-ol (PubChem CID 63672435) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(4-amino-3-propoxyphenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(4-amino-3-propoxyphenyl)piperidin-4-ol
PubChem CID63672435
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(4-amino-3-propoxyphenyl)piperidin-4-ol
SMILESCCCOc1cc(N2CCC(O)CC2)ccc1N
InChIInChI=1S/C14H22N2O2/c1-2-9-18-14-10-11(3-4-13(14)15)16-7-5-12(17)6-8-16/h3-4,10,12,17H,2,5-9,15H2,1H3
InChIKeyBHYAFYUUKPWFQI-UHFFFAOYSA-N
XLogP2.02
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(4-amino-3-propoxyphenyl)piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-propoxyphenyl)piperidin-4-ol?
The IUPAC name of 1-(4-amino-3-propoxyphenyl)piperidin-4-ol (CID 63672435) is 1-(4-amino-3-propoxyphenyl)piperidin-4-ol.
What is the SMILES notation for 1-(4-amino-3-propoxyphenyl)piperidin-4-ol?
The canonical SMILES for 1-(4-amino-3-propoxyphenyl)piperidin-4-ol is CCCOc1cc(N2CCC(O)CC2)ccc1N.
What is the InChIKey of 1-(4-amino-3-propoxyphenyl)piperidin-4-ol?
The InChIKey is BHYAFYUUKPWFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-9-18-14-10-11(3-4-13(14)15)16-7-5-12(17)6-8-16/h3-4,10,12,17H,2,5-9,15H2,1H3.
What are the key properties of 1-(4-amino-3-propoxyphenyl)piperidin-4-ol?
1-(4-amino-3-propoxyphenyl)piperidin-4-ol has a molecular weight of 250.34 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-propoxyphenyl)piperidin-4-ol is sourced from PubChem (CID 63672435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).