1-amino-3-(2-methylpropyl)piperidin-4-ol

C9H20N2O — CID 121203010

IUPAC1-amino-3-(2-methylpropyl)piperidin-4-ol
SMILESCC(C)CC1CN(N)CCC1O
InChIInChI=1S/C9H20N2O/c1-7(2)5-8-6-11(10)4-3-9(8)12/h7-9,12H,3-6,10H2,1-2H3
InChIKeyBWTKPTSEASSBJQ-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.59
Rot. Bonds2

About 1-amino-3-(2-methylpropyl)piperidin-4-ol

1-amino-3-(2-methylpropyl)piperidin-4-ol (PubChem CID 121203010) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-amino-3-(2-methylpropyl)piperidin-4-ol.

Molecular Properties

Compound Name1-amino-3-(2-methylpropyl)piperidin-4-ol
PubChem CID121203010
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1-amino-3-(2-methylpropyl)piperidin-4-ol
SMILESCC(C)CC1CN(N)CCC1O
InChIInChI=1S/C9H20N2O/c1-7(2)5-8-6-11(10)4-3-9(8)12/h7-9,12H,3-6,10H2,1-2H3
InChIKeyBWTKPTSEASSBJQ-UHFFFAOYSA-N
XLogP0.59
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-methylpropyl)piperidin-4-ol?
The IUPAC name of 1-amino-3-(2-methylpropyl)piperidin-4-ol (CID 121203010) is 1-amino-3-(2-methylpropyl)piperidin-4-ol.
What is the SMILES notation for 1-amino-3-(2-methylpropyl)piperidin-4-ol?
The canonical SMILES for 1-amino-3-(2-methylpropyl)piperidin-4-ol is CC(C)CC1CN(N)CCC1O.
What is the InChIKey of 1-amino-3-(2-methylpropyl)piperidin-4-ol?
The InChIKey is BWTKPTSEASSBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-7(2)5-8-6-11(10)4-3-9(8)12/h7-9,12H,3-6,10H2,1-2H3.
What are the key properties of 1-amino-3-(2-methylpropyl)piperidin-4-ol?
1-amino-3-(2-methylpropyl)piperidin-4-ol has a molecular weight of 172.27 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-methylpropyl)piperidin-4-ol is sourced from PubChem (CID 121203010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).