benzyl (3R)-3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate

C15H21NO5 — CID 102421396

IUPACbenzyl (3R)-3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate
SMILESCOC1(OC)CCN(C(=O)OCc2ccccc2)C[C@H]1O
InChIInChI=1S/C15H21NO5/c1-19-15(20-2)8-9-16(10-13(15)17)14(18)21-11-12-6-4-3-5-7-12/h3-7,13,17H,8-11H2,1-2H3/t13-/m1/s1
InChIKeyYSTGJBDNTNVBIP-CYBMUJFWSA-N
MW295.33 g/mol
LogP1.38
Rot. Bonds4

About benzyl (3R)-3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate

benzyl (3R)-3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate (PubChem CID 102421396) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is benzyl (3R)-3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (3R)-3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate
PubChem CID102421396
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Namebenzyl (3R)-3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate
SMILESCOC1(OC)CCN(C(=O)OCc2ccccc2)C[C@H]1O
InChIInChI=1S/C15H21NO5/c1-19-15(20-2)8-9-16(10-13(15)17)14(18)21-11-12-6-4-3-5-7-12/h3-7,13,17H,8-11H2,1-2H3/t13-/m1/s1
InChIKeyYSTGJBDNTNVBIP-CYBMUJFWSA-N
XLogP1.38
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

benzyl (3R,4S)-3-fluoro-4-methoxy-4-methylpiperidine-1-carboxylate
CID 90183765
[(3S,4S)-4-amino-3-hydroxy-1-phenylmethoxycarbonylpiperidin-4-yl]phosphonic acid
CID 102421415
benzyl 3,4-dihydroxy-4-(oxiran-2-yl)piperidine-1-carboxylate
CID 58138456
benzyl (3R,4R)-3-fluoro-4-hydroxy-4-methylpiperidine-1-carboxylate
CID 90183749
benzyl (1R,6R)-6-methyl-7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 124746111
benzyl (3R,4R)-4-hydroxy-3-methoxypiperidine-1-carboxylate
CID 90178387
benzyl 3-methylpyrrolidine-1-carboxylate;ethane
CID 164877739
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl (3S)-3,4-dimethoxypyrrolidine-1-carboxylate
CID 142802088
1-O-benzyl 3-O-methyl 3-methoxypyrrolidine-1,3-dicarboxylate
CID 58371984
benzyl 4-hydroxy-3-phenylmethoxy-4-(trifluoromethyl)piperidine-1-carboxylate
CID 121378621
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626

Frequently Asked Questions

What is the IUPAC name of benzyl (3R)-3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate?
The IUPAC name of benzyl (3R)-3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate (CID 102421396) is benzyl (3R)-3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate.
What is the SMILES notation for benzyl (3R)-3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate?
The canonical SMILES for benzyl (3R)-3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate is COC1(OC)CCN(C(=O)OCc2ccccc2)C[C@H]1O.
What is the InChIKey of benzyl (3R)-3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate?
The InChIKey is YSTGJBDNTNVBIP-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21NO5/c1-19-15(20-2)8-9-16(10-13(15)17)14(18)21-11-12-6-4-3-5-7-12/h3-7,13,17H,8-11H2,1-2H3/t13-/m1/s1.
What are the key properties of benzyl (3R)-3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate?
benzyl (3R)-3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate has a molecular weight of 295.33 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3R)-3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate is sourced from PubChem (CID 102421396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).