methyl 4-(hydroxymethyl)piperidine-1-carboxylate

C8H15NO3 — CID 45123042

IUPACmethyl 4-(hydroxymethyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(CO)CC1
InChIInChI=1S/C8H15NO3/c1-12-8(11)9-4-2-7(6-10)3-5-9/h7,10H,2-6H2,1H3
InChIKeyXITRBDLPZVGVDX-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.46
Rot. Bonds1

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

methyl 4-(hydroxymethyl)piperidine-1-carboxylate (PubChem CID 45123042) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl 4-(hydroxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(hydroxymethyl)piperidine-1-carboxylate
PubChem CID45123042
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl 4-(hydroxymethyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(CO)CC1
InChIInChI=1S/C8H15NO3/c1-12-8(11)9-4-2-7(6-10)3-5-9/h7,10H,2-6H2,1H3
InChIKeyXITRBDLPZVGVDX-UHFFFAOYSA-N
XLogP0.46
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(hydroxymethyl)piperidine-1-carboxylate?
The IUPAC name of methyl 4-(hydroxymethyl)piperidine-1-carboxylate (CID 45123042) is methyl 4-(hydroxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-(hydroxymethyl)piperidine-1-carboxylate?
The canonical SMILES for methyl 4-(hydroxymethyl)piperidine-1-carboxylate is COC(=O)N1CCC(CO)CC1.
What is the InChIKey of methyl 4-(hydroxymethyl)piperidine-1-carboxylate?
The InChIKey is XITRBDLPZVGVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-12-8(11)9-4-2-7(6-10)3-5-9/h7,10H,2-6H2,1H3.
What are the key properties of methyl 4-(hydroxymethyl)piperidine-1-carboxylate?
methyl 4-(hydroxymethyl)piperidine-1-carboxylate has a molecular weight of 173.21 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(hydroxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 45123042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).