benzyl (2R)-5-hydroxy-2-methylpiperidine-1-carboxylate

C14H19NO3 — CID 86724500

IUPACbenzyl (2R)-5-hydroxy-2-methylpiperidine-1-carboxylate
SMILESC[C@@H]1CCC(O)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C14H19NO3/c1-11-7-8-13(16)9-15(11)14(17)18-10-12-5-3-2-4-6-12/h2-6,11,13,16H,7-10H2,1H3/t11-,13?/m1/s1
InChIKeyPORAIKBIDRNMQN-JTDNENJMSA-N
MW249.31 g/mol
LogP2.17
Rot. Bonds2

About benzyl (2R)-5-hydroxy-2-methylpiperidine-1-carboxylate

benzyl (2R)-5-hydroxy-2-methylpiperidine-1-carboxylate (PubChem CID 86724500) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is benzyl (2R)-5-hydroxy-2-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R)-5-hydroxy-2-methylpiperidine-1-carboxylate
PubChem CID86724500
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namebenzyl (2R)-5-hydroxy-2-methylpiperidine-1-carboxylate
SMILESC[C@@H]1CCC(O)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C14H19NO3/c1-11-7-8-13(16)9-15(11)14(17)18-10-12-5-3-2-4-6-12/h2-6,11,13,16H,7-10H2,1H3/t11-,13?/m1/s1
InChIKeyPORAIKBIDRNMQN-JTDNENJMSA-N
XLogP2.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (2S,5R)-5-hydroxy-2-methylpiperidine-1-carboxylate
CID 97112056
benzyl 5-hydroxy-2-methylazepane-1-carboxylate
CID 166141672
benzyl (2R,6R)-5-amino-6-hydroxy-2-methylazepane-1-carboxylate
CID 154193684
benzyl (2R,5R,6R)-5-amino-6-hydroxy-2-methylazepane-1-carboxylate
CID 11521972
benzyl (2R,5S)-5-(aminomethyl)-2-methylpiperidine-1-carboxylate
CID 124523421
benzyl (2R,5S)-5-methoxy-2-methylpiperidine-1-carboxylate
CID 130369185
1-O-benzyl 2-O-methyl 5-hydroxypiperidine-1,2-dicarboxylate
CID 14081061
1-O-benzyl 2-O-ethyl (2S,5S)-5-hydroxypiperidine-1,2-dicarboxylate
CID 118193062
1-O-benzyl 2-O-ethyl (2R,5R)-5-hydroxypiperidine-1,2-dicarboxylate
CID 118193064
benzyl (2R,5R)-5-hydroxy-2-(methylcarbamoyl)piperidine-1-carboxylate
CID 118193066
(2S,4R,5R)-2,5-dimethyl-1-phenylmethoxycarbonylpiperidine-4-carboxylic acid
CID 178194460
benzyl (2R,5R)-5-azido-2-methylpiperidine-1-carboxylate
CID 90196793

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-5-hydroxy-2-methylpiperidine-1-carboxylate?
The IUPAC name of benzyl (2R)-5-hydroxy-2-methylpiperidine-1-carboxylate (CID 86724500) is benzyl (2R)-5-hydroxy-2-methylpiperidine-1-carboxylate.
What is the SMILES notation for benzyl (2R)-5-hydroxy-2-methylpiperidine-1-carboxylate?
The canonical SMILES for benzyl (2R)-5-hydroxy-2-methylpiperidine-1-carboxylate is C[C@@H]1CCC(O)CN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R)-5-hydroxy-2-methylpiperidine-1-carboxylate?
The InChIKey is PORAIKBIDRNMQN-JTDNENJMSA-N. The full InChI is InChI=1S/C14H19NO3/c1-11-7-8-13(16)9-15(11)14(17)18-10-12-5-3-2-4-6-12/h2-6,11,13,16H,7-10H2,1H3/t11-,13?/m1/s1.
What are the key properties of benzyl (2R)-5-hydroxy-2-methylpiperidine-1-carboxylate?
benzyl (2R)-5-hydroxy-2-methylpiperidine-1-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-5-hydroxy-2-methylpiperidine-1-carboxylate is sourced from PubChem (CID 86724500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).