1-[4-hydroxy-4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one

C14H28N2O3 — CID 39371901

IUPAC1-[4-hydroxy-4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCOCCNCC1(O)CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C14H28N2O3/c1-13(2,3)12(17)16-8-5-14(18,6-9-16)11-15-7-10-19-4/h15,18H,5-11H2,1-4H3
InChIKeyJVNZWEMEUCANJI-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.62
Rot. Bonds5

About 1-[4-hydroxy-4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one

1-[4-hydroxy-4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 39371901) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-[4-hydroxy-4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-hydroxy-4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID39371901
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name1-[4-hydroxy-4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCOCCNCC1(O)CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C14H28N2O3/c1-13(2,3)12(17)16-8-5-14(18,6-9-16)11-15-7-10-19-4/h15,18H,5-11H2,1-4H3
InChIKeyJVNZWEMEUCANJI-UHFFFAOYSA-N
XLogP0.62
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-methoxyethylamino)methyl]cyclobutan-1-ol
CID 80500939
1-[(2-methoxyethylamino)methyl]cyclopentan-1-ol
CID 62773566
tert-butyl 4-hydroxy-4-(propylaminomethyl)piperidine-1-carboxylate
CID 90021748
1-[(2-methoxyethylamino)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 62774535
1-[(2-methoxyethylamino)methyl]-4-methylcyclohexan-1-ol
CID 62773369
4-(2,2-dimethylpropanoyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 86998998
tert-butyl 4-[(4-aminobutylamino)methyl]-4-hydroxypiperidine-1-carboxylate
CID 126847200
1-[4-(3-methoxypropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 113073330
2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2-methoxyethyl)acetamide
CID 81130287
1-[(2-methoxyethylamino)methyl]-4-methylcycloheptan-1-ol
CID 65082682
tert-butyl 4-hydroxy-4-[(2-methylpropylamino)methyl]piperidine-1-carboxylate
CID 54250356
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 79290845

Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-hydroxy-4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one (CID 39371901) is 1-[4-hydroxy-4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-hydroxy-4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-hydroxy-4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one is COCCNCC1(O)CCN(C(=O)C(C)(C)C)CC1.
What is the InChIKey of 1-[4-hydroxy-4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is JVNZWEMEUCANJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-13(2,3)12(17)16-8-5-14(18,6-9-16)11-15-7-10-19-4/h15,18H,5-11H2,1-4H3.
What are the key properties of 1-[4-hydroxy-4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-hydroxy-4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 272.39 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 39371901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).