benzyl 2,3-dihydroxypiperidine-1-carboxylate

C13H17NO4 — CID 11299711

IUPACbenzyl 2,3-dihydroxypiperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCCC(O)C1O
InChIInChI=1S/C13H17NO4/c15-11-7-4-8-14(12(11)16)13(17)18-9-10-5-2-1-3-6-10/h1-3,5-6,11-12,15-16H,4,7-9H2
InChIKeyVNESYKAPWPTFDV-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.10
Rot. Bonds2

About benzyl 2,3-dihydroxypiperidine-1-carboxylate

benzyl 2,3-dihydroxypiperidine-1-carboxylate (PubChem CID 11299711) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is benzyl 2,3-dihydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2,3-dihydroxypiperidine-1-carboxylate
PubChem CID11299711
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Namebenzyl 2,3-dihydroxypiperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCCC(O)C1O
InChIInChI=1S/C13H17NO4/c15-11-7-4-8-14(12(11)16)13(17)18-9-10-5-2-1-3-6-10/h1-3,5-6,11-12,15-16H,4,7-9H2
InChIKeyVNESYKAPWPTFDV-UHFFFAOYSA-N
XLogP1.10
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze benzyl 2,3-dihydroxypiperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl 2,3-dihydroxypiperidine-1-carboxylate?
The IUPAC name of benzyl 2,3-dihydroxypiperidine-1-carboxylate (CID 11299711) is benzyl 2,3-dihydroxypiperidine-1-carboxylate.
What is the SMILES notation for benzyl 2,3-dihydroxypiperidine-1-carboxylate?
The canonical SMILES for benzyl 2,3-dihydroxypiperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCCC(O)C1O.
What is the InChIKey of benzyl 2,3-dihydroxypiperidine-1-carboxylate?
The InChIKey is VNESYKAPWPTFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c15-11-7-4-8-14(12(11)16)13(17)18-9-10-5-2-1-3-6-10/h1-3,5-6,11-12,15-16H,4,7-9H2.
What are the key properties of benzyl 2,3-dihydroxypiperidine-1-carboxylate?
benzyl 2,3-dihydroxypiperidine-1-carboxylate has a molecular weight of 251.28 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2,3-dihydroxypiperidine-1-carboxylate is sourced from PubChem (CID 11299711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).