4-(hydroxymethyl)piperidine-1-carboxylic acid

C7H13NO3 — CID 18377484

IUPAC4-(hydroxymethyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CO)CC1
InChIInChI=1S/C7H13NO3/c9-5-6-1-3-8(4-2-6)7(10)11/h6,9H,1-5H2,(H,10,11)
InChIKeyMSRIZBHRUSVALK-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.37
Rot. Bonds1

About 4-(hydroxymethyl)piperidine-1-carboxylic acid

4-(hydroxymethyl)piperidine-1-carboxylic acid (PubChem CID 18377484) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 4-(hydroxymethyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(hydroxymethyl)piperidine-1-carboxylic acid
PubChem CID18377484
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name4-(hydroxymethyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CO)CC1
InChIInChI=1S/C7H13NO3/c9-5-6-1-3-8(4-2-6)7(10)11/h6,9H,1-5H2,(H,10,11)
InChIKeyMSRIZBHRUSVALK-UHFFFAOYSA-N
XLogP0.37
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(hydroxymethyl)piperidine-1-carboxylic acid (CID 18377484) is 4-(hydroxymethyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(hydroxymethyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(hydroxymethyl)piperidine-1-carboxylic acid is O=C(O)N1CCC(CO)CC1.
What is the InChIKey of 4-(hydroxymethyl)piperidine-1-carboxylic acid?
The InChIKey is MSRIZBHRUSVALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c9-5-6-1-3-8(4-2-6)7(10)11/h6,9H,1-5H2,(H,10,11).
What are the key properties of 4-(hydroxymethyl)piperidine-1-carboxylic acid?
4-(hydroxymethyl)piperidine-1-carboxylic acid has a molecular weight of 159.18 g/mol, XLogP of 0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 18377484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).