benzyl (2S)-2-(hydroxymethyl)piperidine-1-carboxylate

C14H19NO3 — CID 10879502

IUPACbenzyl (2S)-2-(hydroxymethyl)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCCC[C@H]1CO
InChIInChI=1S/C14H19NO3/c16-10-13-8-4-5-9-15(13)14(17)18-11-12-6-2-1-3-7-12/h1-3,6-7,13,16H,4-5,8-11H2/t13-/m0/s1
InChIKeyUDGDHNGWPNSYCD-ZDUSSCGKSA-N
MW249.31 g/mol
LogP2.17
Rot. Bonds3

About benzyl (2S)-2-(hydroxymethyl)piperidine-1-carboxylate

benzyl (2S)-2-(hydroxymethyl)piperidine-1-carboxylate (PubChem CID 10879502) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is benzyl (2S)-2-(hydroxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-2-(hydroxymethyl)piperidine-1-carboxylate
PubChem CID10879502
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namebenzyl (2S)-2-(hydroxymethyl)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCCC[C@H]1CO
InChIInChI=1S/C14H19NO3/c16-10-13-8-4-5-9-15(13)14(17)18-11-12-6-2-1-3-7-12/h1-3,6-7,13,16H,4-5,8-11H2/t13-/m0/s1
InChIKeyUDGDHNGWPNSYCD-ZDUSSCGKSA-N
XLogP2.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-(hydroxymethyl)piperidine-1-carboxylate?
The IUPAC name of benzyl (2S)-2-(hydroxymethyl)piperidine-1-carboxylate (CID 10879502) is benzyl (2S)-2-(hydroxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl (2S)-2-(hydroxymethyl)piperidine-1-carboxylate?
The canonical SMILES for benzyl (2S)-2-(hydroxymethyl)piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCCC[C@H]1CO.
What is the InChIKey of benzyl (2S)-2-(hydroxymethyl)piperidine-1-carboxylate?
The InChIKey is UDGDHNGWPNSYCD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19NO3/c16-10-13-8-4-5-9-15(13)14(17)18-11-12-6-2-1-3-7-12/h1-3,6-7,13,16H,4-5,8-11H2/t13-/m0/s1.
What are the key properties of benzyl (2S)-2-(hydroxymethyl)piperidine-1-carboxylate?
benzyl (2S)-2-(hydroxymethyl)piperidine-1-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-(hydroxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 10879502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).