2-(3-aminophenyl)-1-propan-2-ylpiperidin-3-ol

C14H22N2O — CID 105494956

IUPAC2-(3-aminophenyl)-1-propan-2-ylpiperidin-3-ol
SMILESCC(C)N1CCCC(O)C1c1cccc(N)c1
InChIInChI=1S/C14H22N2O/c1-10(2)16-8-4-7-13(17)14(16)11-5-3-6-12(15)9-11/h3,5-6,9-10,13-14,17H,4,7-8,15H2,1-2H3
InChIKeyTYDDNSNAEWHKLU-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.17
Rot. Bonds2

About 2-(3-aminophenyl)-1-propan-2-ylpiperidin-3-ol

2-(3-aminophenyl)-1-propan-2-ylpiperidin-3-ol (PubChem CID 105494956) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(3-aminophenyl)-1-propan-2-ylpiperidin-3-ol.

Molecular Properties

Compound Name2-(3-aminophenyl)-1-propan-2-ylpiperidin-3-ol
PubChem CID105494956
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(3-aminophenyl)-1-propan-2-ylpiperidin-3-ol
SMILESCC(C)N1CCCC(O)C1c1cccc(N)c1
InChIInChI=1S/C14H22N2O/c1-10(2)16-8-4-7-13(17)14(16)11-5-3-6-12(15)9-11/h3,5-6,9-10,13-14,17H,4,7-8,15H2,1-2H3
InChIKeyTYDDNSNAEWHKLU-UHFFFAOYSA-N
XLogP2.17
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-1-propan-2-ylpiperidin-3-ol?
The IUPAC name of 2-(3-aminophenyl)-1-propan-2-ylpiperidin-3-ol (CID 105494956) is 2-(3-aminophenyl)-1-propan-2-ylpiperidin-3-ol.
What is the SMILES notation for 2-(3-aminophenyl)-1-propan-2-ylpiperidin-3-ol?
The canonical SMILES for 2-(3-aminophenyl)-1-propan-2-ylpiperidin-3-ol is CC(C)N1CCCC(O)C1c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-1-propan-2-ylpiperidin-3-ol?
The InChIKey is TYDDNSNAEWHKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10(2)16-8-4-7-13(17)14(16)11-5-3-6-12(15)9-11/h3,5-6,9-10,13-14,17H,4,7-8,15H2,1-2H3.
What are the key properties of 2-(3-aminophenyl)-1-propan-2-ylpiperidin-3-ol?
2-(3-aminophenyl)-1-propan-2-ylpiperidin-3-ol has a molecular weight of 234.34 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-1-propan-2-ylpiperidin-3-ol is sourced from PubChem (CID 105494956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).