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

C14H19NO4 — CID 90178387

IUPACbenzyl (3R,4R)-4-hydroxy-3-methoxypiperidine-1-carboxylate
SMILESCO[C@@H]1CN(C(=O)OCc2ccccc2)CC[C@H]1O
InChIInChI=1S/C14H19NO4/c1-18-13-9-15(8-7-12(13)16)14(17)19-10-11-5-3-2-4-6-11/h2-6,12-13,16H,7-10H2,1H3/t12-,13-/m1/s1
InChIKeyYUKRJFHZKRYZMY-CHWSQXEVSA-N
MW265.31 g/mol
LogP1.40
Rot. Bonds3

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

benzyl (3R,4R)-4-hydroxy-3-methoxypiperidine-1-carboxylate (PubChem CID 90178387) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is benzyl (3R,4R)-4-hydroxy-3-methoxypiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (3R,4R)-4-hydroxy-3-methoxypiperidine-1-carboxylate
PubChem CID90178387
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namebenzyl (3R,4R)-4-hydroxy-3-methoxypiperidine-1-carboxylate
SMILESCO[C@@H]1CN(C(=O)OCc2ccccc2)CC[C@H]1O
InChIInChI=1S/C14H19NO4/c1-18-13-9-15(8-7-12(13)16)14(17)19-10-11-5-3-2-4-6-11/h2-6,12-13,16H,7-10H2,1H3/t12-,13-/m1/s1
InChIKeyYUKRJFHZKRYZMY-CHWSQXEVSA-N
XLogP1.40
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (5S)-4-hydroxy-5-methoxyazepane-1-carboxylate
CID 118230308
benzyl 4-amino-3-methoxypiperidine-1-carboxylate
CID 77271966
benzyl (3S,4R)-4-ethyl-3-methoxypiperidine-1-carboxylate
CID 70943335
benzyl (3S)-3,4-dimethoxypyrrolidine-1-carboxylate
CID 142802088
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl (3S,4R,5R)-3,4-dihydroxy-5-methoxypiperidine-1-carboxylate
CID 42638861
benzyl (3S,4R)-3-fluoro-4-hydroxypiperidine-1-carboxylate;benzyl (3R,4S)-3-fluoro-4-hydroxypiperidine-1-carboxylate
CID 154809529
benzyl (3S)-3-hydroxy-4-methoxypyrrolidine-1-carboxylate;benzyl 6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 160894007
benzyl 3-methylpyrrolidine-1-carboxylate;ethane
CID 164877739
(3S,4R)-4-methoxy-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 58284680
benzyl 3-fluoro-4-methoxypyrrolidine-1-carboxylate
CID 20746063
benzyl (3R)-3-[(1S)-1-aminoethyl]pyrrolidine-1-carboxylate
CID 86674568

Frequently Asked Questions

What is the IUPAC name of benzyl (3R,4R)-4-hydroxy-3-methoxypiperidine-1-carboxylate?
The IUPAC name of benzyl (3R,4R)-4-hydroxy-3-methoxypiperidine-1-carboxylate (CID 90178387) is benzyl (3R,4R)-4-hydroxy-3-methoxypiperidine-1-carboxylate.
What is the SMILES notation for benzyl (3R,4R)-4-hydroxy-3-methoxypiperidine-1-carboxylate?
The canonical SMILES for benzyl (3R,4R)-4-hydroxy-3-methoxypiperidine-1-carboxylate is CO[C@@H]1CN(C(=O)OCc2ccccc2)CC[C@H]1O.
What is the InChIKey of benzyl (3R,4R)-4-hydroxy-3-methoxypiperidine-1-carboxylate?
The InChIKey is YUKRJFHZKRYZMY-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H19NO4/c1-18-13-9-15(8-7-12(13)16)14(17)19-10-11-5-3-2-4-6-11/h2-6,12-13,16H,7-10H2,1H3/t12-,13-/m1/s1.
What are the key properties of benzyl (3R,4R)-4-hydroxy-3-methoxypiperidine-1-carboxylate?
benzyl (3R,4R)-4-hydroxy-3-methoxypiperidine-1-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3R,4R)-4-hydroxy-3-methoxypiperidine-1-carboxylate is sourced from PubChem (CID 90178387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).