2-[4-[(1-hydroxy-4-methylpentan-3-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide

C15H31N3O2 — CID 103786544

IUPAC2-[4-[(1-hydroxy-4-methylpentan-3-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCC(C)C(CCO)NC1CCN(CC(=O)N(C)C)CC1
InChIInChI=1S/C15H31N3O2/c1-12(2)14(7-10-19)16-13-5-8-18(9-6-13)11-15(20)17(3)4/h12-14,16,19H,5-11H2,1-4H3
InChIKeyHKGPFRUJPQIFHH-UHFFFAOYSA-N
MW285.43 g/mol
LogP0.54
Rot. Bonds7

About 2-[4-[(1-hydroxy-4-methylpentan-3-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide

2-[4-[(1-hydroxy-4-methylpentan-3-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide (PubChem CID 103786544) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-[4-[(1-hydroxy-4-methylpentan-3-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[(1-hydroxy-4-methylpentan-3-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide
PubChem CID103786544
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name2-[4-[(1-hydroxy-4-methylpentan-3-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCC(C)C(CCO)NC1CCN(CC(=O)N(C)C)CC1
InChIInChI=1S/C15H31N3O2/c1-12(2)14(7-10-19)16-13-5-8-18(9-6-13)11-15(20)17(3)4/h12-14,16,19H,5-11H2,1-4H3
InChIKeyHKGPFRUJPQIFHH-UHFFFAOYSA-N
XLogP0.54
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-hydroxy-4-methylpentan-3-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[(1-hydroxy-4-methylpentan-3-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide (CID 103786544) is 2-[4-[(1-hydroxy-4-methylpentan-3-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[(1-hydroxy-4-methylpentan-3-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[(1-hydroxy-4-methylpentan-3-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide is CC(C)C(CCO)NC1CCN(CC(=O)N(C)C)CC1.
What is the InChIKey of 2-[4-[(1-hydroxy-4-methylpentan-3-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide?
The InChIKey is HKGPFRUJPQIFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-12(2)14(7-10-19)16-13-5-8-18(9-6-13)11-15(20)17(3)4/h12-14,16,19H,5-11H2,1-4H3.
What are the key properties of 2-[4-[(1-hydroxy-4-methylpentan-3-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide?
2-[4-[(1-hydroxy-4-methylpentan-3-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 285.43 g/mol, XLogP of 0.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-hydroxy-4-methylpentan-3-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 103786544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).