3-amino-2-(3,3-dimethylpiperidin-1-yl)hexan-1-ol

C13H28N2O — CID 114357344

IUPAC3-amino-2-(3,3-dimethylpiperidin-1-yl)hexan-1-ol
SMILESCCCC(N)C(CO)N1CCCC(C)(C)C1
InChIInChI=1S/C13H28N2O/c1-4-6-11(14)12(9-16)15-8-5-7-13(2,3)10-15/h11-12,16H,4-10,14H2,1-3H3
InChIKeyOKXSKIIAWMGFEE-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.60
Rot. Bonds5

About 3-amino-2-(3,3-dimethylpiperidin-1-yl)hexan-1-ol

3-amino-2-(3,3-dimethylpiperidin-1-yl)hexan-1-ol (PubChem CID 114357344) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-amino-2-(3,3-dimethylpiperidin-1-yl)hexan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3,3-dimethylpiperidin-1-yl)hexan-1-ol
PubChem CID114357344
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-amino-2-(3,3-dimethylpiperidin-1-yl)hexan-1-ol
SMILESCCCC(N)C(CO)N1CCCC(C)(C)C1
InChIInChI=1S/C13H28N2O/c1-4-6-11(14)12(9-16)15-8-5-7-13(2,3)10-15/h11-12,16H,4-10,14H2,1-3H3
InChIKeyOKXSKIIAWMGFEE-UHFFFAOYSA-N
XLogP1.60
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3,3-dimethylpiperidin-1-yl)hexan-1-ol?
The IUPAC name of 3-amino-2-(3,3-dimethylpiperidin-1-yl)hexan-1-ol (CID 114357344) is 3-amino-2-(3,3-dimethylpiperidin-1-yl)hexan-1-ol.
What is the SMILES notation for 3-amino-2-(3,3-dimethylpiperidin-1-yl)hexan-1-ol?
The canonical SMILES for 3-amino-2-(3,3-dimethylpiperidin-1-yl)hexan-1-ol is CCCC(N)C(CO)N1CCCC(C)(C)C1.
What is the InChIKey of 3-amino-2-(3,3-dimethylpiperidin-1-yl)hexan-1-ol?
The InChIKey is OKXSKIIAWMGFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-6-11(14)12(9-16)15-8-5-7-13(2,3)10-15/h11-12,16H,4-10,14H2,1-3H3.
What are the key properties of 3-amino-2-(3,3-dimethylpiperidin-1-yl)hexan-1-ol?
3-amino-2-(3,3-dimethylpiperidin-1-yl)hexan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3,3-dimethylpiperidin-1-yl)hexan-1-ol is sourced from PubChem (CID 114357344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).