1-amino-4-(4,4-dimethylpiperidin-1-yl)-2-methylpentan-2-ol

C13H28N2O — CID 64818490

IUPAC1-amino-4-(4,4-dimethylpiperidin-1-yl)-2-methylpentan-2-ol
SMILESCC(CC(C)(O)CN)N1CCC(C)(C)CC1
InChIInChI=1S/C13H28N2O/c1-11(9-13(4,16)10-14)15-7-5-12(2,3)6-8-15/h11,16H,5-10,14H2,1-4H3
InChIKeyJAOWEJCDYIROHJ-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.60
Rot. Bonds4

About 1-amino-4-(4,4-dimethylpiperidin-1-yl)-2-methylpentan-2-ol

1-amino-4-(4,4-dimethylpiperidin-1-yl)-2-methylpentan-2-ol (PubChem CID 64818490) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-amino-4-(4,4-dimethylpiperidin-1-yl)-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-amino-4-(4,4-dimethylpiperidin-1-yl)-2-methylpentan-2-ol
PubChem CID64818490
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-amino-4-(4,4-dimethylpiperidin-1-yl)-2-methylpentan-2-ol
SMILESCC(CC(C)(O)CN)N1CCC(C)(C)CC1
InChIInChI=1S/C13H28N2O/c1-11(9-13(4,16)10-14)15-7-5-12(2,3)6-8-15/h11,16H,5-10,14H2,1-4H3
InChIKeyJAOWEJCDYIROHJ-UHFFFAOYSA-N
XLogP1.60
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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 1-amino-4-(4,4-dimethylpiperidin-1-yl)-2-methylpentan-2-ol?
The IUPAC name of 1-amino-4-(4,4-dimethylpiperidin-1-yl)-2-methylpentan-2-ol (CID 64818490) is 1-amino-4-(4,4-dimethylpiperidin-1-yl)-2-methylpentan-2-ol.
What is the SMILES notation for 1-amino-4-(4,4-dimethylpiperidin-1-yl)-2-methylpentan-2-ol?
The canonical SMILES for 1-amino-4-(4,4-dimethylpiperidin-1-yl)-2-methylpentan-2-ol is CC(CC(C)(O)CN)N1CCC(C)(C)CC1.
What is the InChIKey of 1-amino-4-(4,4-dimethylpiperidin-1-yl)-2-methylpentan-2-ol?
The InChIKey is JAOWEJCDYIROHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11(9-13(4,16)10-14)15-7-5-12(2,3)6-8-15/h11,16H,5-10,14H2,1-4H3.
What are the key properties of 1-amino-4-(4,4-dimethylpiperidin-1-yl)-2-methylpentan-2-ol?
1-amino-4-(4,4-dimethylpiperidin-1-yl)-2-methylpentan-2-ol has a molecular weight of 228.38 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(4,4-dimethylpiperidin-1-yl)-2-methylpentan-2-ol is sourced from PubChem (CID 64818490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).