2-[methyl-[(2S)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]amino]ethanol

C15H33N3O — CID 171359648

IUPAC2-[methyl-[(2S)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]amino]ethanol
SMILESC[C@@H](CN(C)CCO)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C15H33N3O/c1-12(11-18(6)7-8-19)16-13-9-14(2,3)17-15(4,5)10-13/h12-13,16-17,19H,7-11H2,1-6H3/t12-/m0/s1
InChIKeyYOUWQRQYCJJPOD-LBPRGKRZSA-N
MW271.45 g/mol
LogP1.20
Rot. Bonds6

About 2-[methyl-[(2S)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]amino]ethanol

2-[methyl-[(2S)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]amino]ethanol (PubChem CID 171359648) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is 2-[methyl-[(2S)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[(2S)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]amino]ethanol
PubChem CID171359648
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC Name2-[methyl-[(2S)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]amino]ethanol
SMILESC[C@@H](CN(C)CCO)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C15H33N3O/c1-12(11-18(6)7-8-19)16-13-9-14(2,3)17-15(4,5)10-13/h12-13,16-17,19H,7-11H2,1-6H3/t12-/m0/s1
InChIKeyYOUWQRQYCJJPOD-LBPRGKRZSA-N
XLogP1.20
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2S)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]amino]ethanol?
The IUPAC name of 2-[methyl-[(2S)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]amino]ethanol (CID 171359648) is 2-[methyl-[(2S)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[(2S)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]amino]ethanol?
The canonical SMILES for 2-[methyl-[(2S)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]amino]ethanol is C[C@@H](CN(C)CCO)NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2-[methyl-[(2S)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]amino]ethanol?
The InChIKey is YOUWQRQYCJJPOD-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H33N3O/c1-12(11-18(6)7-8-19)16-13-9-14(2,3)17-15(4,5)10-13/h12-13,16-17,19H,7-11H2,1-6H3/t12-/m0/s1.
What are the key properties of 2-[methyl-[(2S)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]amino]ethanol?
2-[methyl-[(2S)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]amino]ethanol has a molecular weight of 271.45 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2S)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]amino]ethanol is sourced from PubChem (CID 171359648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).