2-[4-(hydroxymethyl)piperidin-4-yl]ethyl formate

C9H17NO3 — CID 174966990

IUPAC2-[4-(hydroxymethyl)piperidin-4-yl]ethyl formate
SMILESO=COCCC1(CO)CCNCC1
InChIInChI=1S/C9H17NO3/c11-7-9(3-6-13-8-12)1-4-10-5-2-9/h8,10-11H,1-7H2
InChIKeyZDVLUURRFSVQHP-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.09
Rot. Bonds5

About 2-[4-(hydroxymethyl)piperidin-4-yl]ethyl formate

2-[4-(hydroxymethyl)piperidin-4-yl]ethyl formate (PubChem CID 174966990) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)piperidin-4-yl]ethyl formate.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)piperidin-4-yl]ethyl formate
PubChem CID174966990
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-[4-(hydroxymethyl)piperidin-4-yl]ethyl formate
SMILESO=COCCC1(CO)CCNCC1
InChIInChI=1S/C9H17NO3/c11-7-9(3-6-13-8-12)1-4-10-5-2-9/h8,10-11H,1-7H2
InChIKeyZDVLUURRFSVQHP-UHFFFAOYSA-N
XLogP-0.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)piperidin-4-yl]ethyl formate?
The IUPAC name of 2-[4-(hydroxymethyl)piperidin-4-yl]ethyl formate (CID 174966990) is 2-[4-(hydroxymethyl)piperidin-4-yl]ethyl formate.
What is the SMILES notation for 2-[4-(hydroxymethyl)piperidin-4-yl]ethyl formate?
The canonical SMILES for 2-[4-(hydroxymethyl)piperidin-4-yl]ethyl formate is O=COCCC1(CO)CCNCC1.
What is the InChIKey of 2-[4-(hydroxymethyl)piperidin-4-yl]ethyl formate?
The InChIKey is ZDVLUURRFSVQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c11-7-9(3-6-13-8-12)1-4-10-5-2-9/h8,10-11H,1-7H2.
What are the key properties of 2-[4-(hydroxymethyl)piperidin-4-yl]ethyl formate?
2-[4-(hydroxymethyl)piperidin-4-yl]ethyl formate has a molecular weight of 187.24 g/mol, XLogP of -0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)piperidin-4-yl]ethyl formate is sourced from PubChem (CID 174966990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).