1-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)hexane-1,6-diol

C15H32N2O2 — CID 57282984

IUPAC1-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)hexane-1,6-diol
SMILESCC1(C)CC(N)CC(C)(C)N1C(O)CCCCCO
InChIInChI=1S/C15H32N2O2/c1-14(2)10-12(16)11-15(3,4)17(14)13(19)8-6-5-7-9-18/h12-13,18-19H,5-11,16H2,1-4H3
InChIKeyYELFADSUYLQYTL-UHFFFAOYSA-N
MW272.43 g/mol
LogP1.84
Rot. Bonds6

About 1-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)hexane-1,6-diol

1-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)hexane-1,6-diol (PubChem CID 57282984) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is 1-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)hexane-1,6-diol.

Molecular Properties

Compound Name1-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)hexane-1,6-diol
PubChem CID57282984
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name1-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)hexane-1,6-diol
SMILESCC1(C)CC(N)CC(C)(C)N1C(O)CCCCCO
InChIInChI=1S/C15H32N2O2/c1-14(2)10-12(16)11-15(3,4)17(14)13(19)8-6-5-7-9-18/h12-13,18-19H,5-11,16H2,1-4H3
InChIKeyYELFADSUYLQYTL-UHFFFAOYSA-N
XLogP1.84
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)hexane-1,6-diol?
The IUPAC name of 1-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)hexane-1,6-diol (CID 57282984) is 1-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)hexane-1,6-diol.
What is the SMILES notation for 1-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)hexane-1,6-diol?
The canonical SMILES for 1-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)hexane-1,6-diol is CC1(C)CC(N)CC(C)(C)N1C(O)CCCCCO.
What is the InChIKey of 1-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)hexane-1,6-diol?
The InChIKey is YELFADSUYLQYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-14(2)10-12(16)11-15(3,4)17(14)13(19)8-6-5-7-9-18/h12-13,18-19H,5-11,16H2,1-4H3.
What are the key properties of 1-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)hexane-1,6-diol?
1-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)hexane-1,6-diol has a molecular weight of 272.43 g/mol, XLogP of 1.84, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)hexane-1,6-diol is sourced from PubChem (CID 57282984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).