1-hydroxy-N,2,2,6,6-pentamethyl-N-prop-2-ynylpiperidin-4-amine

C13H24N2O — CID 91177291

IUPAC1-hydroxy-N,2,2,6,6-pentamethyl-N-prop-2-ynylpiperidin-4-amine
SMILESC#CCN(C)C1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C13H24N2O/c1-7-8-14(6)11-9-12(2,3)15(16)13(4,5)10-11/h1,11,16H,8-10H2,2-6H3
InChIKeyHNAXMKLYZSUBKR-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.96
Rot. Bonds2

About 1-hydroxy-N,2,2,6,6-pentamethyl-N-prop-2-ynylpiperidin-4-amine

1-hydroxy-N,2,2,6,6-pentamethyl-N-prop-2-ynylpiperidin-4-amine (PubChem CID 91177291) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-hydroxy-N,2,2,6,6-pentamethyl-N-prop-2-ynylpiperidin-4-amine.

Molecular Properties

Compound Name1-hydroxy-N,2,2,6,6-pentamethyl-N-prop-2-ynylpiperidin-4-amine
PubChem CID91177291
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-hydroxy-N,2,2,6,6-pentamethyl-N-prop-2-ynylpiperidin-4-amine
SMILESC#CCN(C)C1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C13H24N2O/c1-7-8-14(6)11-9-12(2,3)15(16)13(4,5)10-11/h1,11,16H,8-10H2,2-6H3
InChIKeyHNAXMKLYZSUBKR-UHFFFAOYSA-N
XLogP1.96
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N,2,2,6,6-pentamethyl-N-prop-2-ynylpiperidin-4-amine?
The IUPAC name of 1-hydroxy-N,2,2,6,6-pentamethyl-N-prop-2-ynylpiperidin-4-amine (CID 91177291) is 1-hydroxy-N,2,2,6,6-pentamethyl-N-prop-2-ynylpiperidin-4-amine.
What is the SMILES notation for 1-hydroxy-N,2,2,6,6-pentamethyl-N-prop-2-ynylpiperidin-4-amine?
The canonical SMILES for 1-hydroxy-N,2,2,6,6-pentamethyl-N-prop-2-ynylpiperidin-4-amine is C#CCN(C)C1CC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of 1-hydroxy-N,2,2,6,6-pentamethyl-N-prop-2-ynylpiperidin-4-amine?
The InChIKey is HNAXMKLYZSUBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-7-8-14(6)11-9-12(2,3)15(16)13(4,5)10-11/h1,11,16H,8-10H2,2-6H3.
What are the key properties of 1-hydroxy-N,2,2,6,6-pentamethyl-N-prop-2-ynylpiperidin-4-amine?
1-hydroxy-N,2,2,6,6-pentamethyl-N-prop-2-ynylpiperidin-4-amine has a molecular weight of 224.35 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N,2,2,6,6-pentamethyl-N-prop-2-ynylpiperidin-4-amine is sourced from PubChem (CID 91177291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).