benzyl 4-(hydroxymethyl)piperidine-1-carboxylate

C14H19NO3 — CID 736490

IUPACbenzyl 4-(hydroxymethyl)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(CO)CC1
InChIInChI=1S/C14H19NO3/c16-10-12-6-8-15(9-7-12)14(17)18-11-13-4-2-1-3-5-13/h1-5,12,16H,6-11H2
InChIKeyLINIORCIRVAZSM-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.03
Rot. Bonds3

About benzyl 4-(hydroxymethyl)piperidine-1-carboxylate

benzyl 4-(hydroxymethyl)piperidine-1-carboxylate (PubChem CID 736490) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is benzyl 4-(hydroxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(hydroxymethyl)piperidine-1-carboxylate
PubChem CID736490
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namebenzyl 4-(hydroxymethyl)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(CO)CC1
InChIInChI=1S/C14H19NO3/c16-10-12-6-8-15(9-7-12)14(17)18-11-13-4-2-1-3-5-13/h1-5,12,16H,6-11H2
InChIKeyLINIORCIRVAZSM-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-(hydroxymethyl)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-(hydroxymethyl)piperidine-1-carboxylate (CID 736490) is benzyl 4-(hydroxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(hydroxymethyl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(hydroxymethyl)piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC(CO)CC1.
What is the InChIKey of benzyl 4-(hydroxymethyl)piperidine-1-carboxylate?
The InChIKey is LINIORCIRVAZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-10-12-6-8-15(9-7-12)14(17)18-11-13-4-2-1-3-5-13/h1-5,12,16H,6-11H2.
What are the key properties of benzyl 4-(hydroxymethyl)piperidine-1-carboxylate?
benzyl 4-(hydroxymethyl)piperidine-1-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(hydroxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 736490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).