1-[4-(2-dimethoxyphosphoryl-1-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one

C14H28NO5P — CID 134472737

IUPAC1-[4-(2-dimethoxyphosphoryl-1-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCOP(=O)(CC(O)C1CCN(C(=O)C(C)(C)C)CC1)OC
InChIInChI=1S/C14H28NO5P/c1-14(2,3)13(17)15-8-6-11(7-9-15)12(16)10-21(18,19-4)20-5/h11-12,16H,6-10H2,1-5H3
InChIKeyYBYYICZTLCNFTH-UHFFFAOYSA-N
MW321.35 g/mol
LogP2.12
Rot. Bonds5

About 1-[4-(2-dimethoxyphosphoryl-1-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one

1-[4-(2-dimethoxyphosphoryl-1-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 134472737) has the molecular formula C14H28NO5P and a molecular weight of 321.35 g/mol. Its IUPAC name is 1-[4-(2-dimethoxyphosphoryl-1-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2-dimethoxyphosphoryl-1-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID134472737
Molecular FormulaC14H28NO5P
Molecular Weight321.35 g/mol
Exact Mass321.17
IUPAC Name1-[4-(2-dimethoxyphosphoryl-1-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCOP(=O)(CC(O)C1CCN(C(=O)C(C)(C)C)CC1)OC
InChIInChI=1S/C14H28NO5P/c1-14(2,3)13(17)15-8-6-11(7-9-15)12(16)10-21(18,19-4)20-5/h11-12,16H,6-10H2,1-5H3
InChIKeyYBYYICZTLCNFTH-UHFFFAOYSA-N
XLogP2.12
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(1-hydroxypropyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 112537597
1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 71783035
2,2,2-trifluoro-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone
CID 112537598
methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 777600
2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]propanenitrile
CID 126750079
tert-butyl 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 129073944
1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110357769
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108557795
tert-butyl 4-(1,3-dihydroxypropyl)piperidine-1-carboxylate
CID 22293485
1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropan-1-one
CID 168727093
2,2-dimethyl-1-[4-(pentan-2-ylamino)piperidin-1-yl]propan-1-one
CID 43747722
tert-butyl (3S)-3-[(1S)-1-hydroxypropyl]pyrrolidine-1-carboxylate
CID 58104614

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-dimethoxyphosphoryl-1-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-(2-dimethoxyphosphoryl-1-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one (CID 134472737) is 1-[4-(2-dimethoxyphosphoryl-1-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-(2-dimethoxyphosphoryl-1-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-(2-dimethoxyphosphoryl-1-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one is COP(=O)(CC(O)C1CCN(C(=O)C(C)(C)C)CC1)OC.
What is the InChIKey of 1-[4-(2-dimethoxyphosphoryl-1-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is YBYYICZTLCNFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28NO5P/c1-14(2,3)13(17)15-8-6-11(7-9-15)12(16)10-21(18,19-4)20-5/h11-12,16H,6-10H2,1-5H3.
What are the key properties of 1-[4-(2-dimethoxyphosphoryl-1-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-(2-dimethoxyphosphoryl-1-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 321.35 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-dimethoxyphosphoryl-1-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 134472737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).