ethyl 4-(hydroxymethyl)piperidine-2-carboxylate

C9H17NO3 — CID 19757810

IUPACethyl 4-(hydroxymethyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CC(CO)CCN1
InChIInChI=1S/C9H17NO3/c1-2-13-9(12)8-5-7(6-11)3-4-10-8/h7-8,10-11H,2-6H2,1H3
InChIKeyDQMZPHXIHNGFAP-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.09
Rot. Bonds3

About ethyl 4-(hydroxymethyl)piperidine-2-carboxylate

ethyl 4-(hydroxymethyl)piperidine-2-carboxylate (PubChem CID 19757810) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is ethyl 4-(hydroxymethyl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(hydroxymethyl)piperidine-2-carboxylate
PubChem CID19757810
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nameethyl 4-(hydroxymethyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CC(CO)CCN1
InChIInChI=1S/C9H17NO3/c1-2-13-9(12)8-5-7(6-11)3-4-10-8/h7-8,10-11H,2-6H2,1H3
InChIKeyDQMZPHXIHNGFAP-UHFFFAOYSA-N
XLogP-0.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(hydroxymethyl)piperidine-2-carboxylate?
The IUPAC name of ethyl 4-(hydroxymethyl)piperidine-2-carboxylate (CID 19757810) is ethyl 4-(hydroxymethyl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl 4-(hydroxymethyl)piperidine-2-carboxylate?
The canonical SMILES for ethyl 4-(hydroxymethyl)piperidine-2-carboxylate is CCOC(=O)C1CC(CO)CCN1.
What is the InChIKey of ethyl 4-(hydroxymethyl)piperidine-2-carboxylate?
The InChIKey is DQMZPHXIHNGFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-2-13-9(12)8-5-7(6-11)3-4-10-8/h7-8,10-11H,2-6H2,1H3.
What are the key properties of ethyl 4-(hydroxymethyl)piperidine-2-carboxylate?
ethyl 4-(hydroxymethyl)piperidine-2-carboxylate has a molecular weight of 187.24 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(hydroxymethyl)piperidine-2-carboxylate is sourced from PubChem (CID 19757810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).