(4-aminopiperidin-4-yl)methanol;tert-butyl formate

C11H24N2O3 — CID 174950700

IUPAC(4-aminopiperidin-4-yl)methanol;tert-butyl formate
SMILESCC(C)(C)OC=O.NC1(CO)CCNCC1
InChIInChI=1S/C6H14N2O.C5H10O2/c7-6(5-9)1-3-8-4-2-6;1-5(2,3)7-4-6/h8-9H,1-5,7H2;4H,1-3H3
InChIKeyWKAXRGAYAOCAOM-UHFFFAOYSA-N
MW232.32 g/mol
LogP0.02
Rot. Bonds2

About (4-aminopiperidin-4-yl)methanol;tert-butyl formate

(4-aminopiperidin-4-yl)methanol;tert-butyl formate (PubChem CID 174950700) has the molecular formula C11H24N2O3 and a molecular weight of 232.32 g/mol. Its IUPAC name is (4-aminopiperidin-4-yl)methanol;tert-butyl formate.

Molecular Properties

Compound Name(4-aminopiperidin-4-yl)methanol;tert-butyl formate
PubChem CID174950700
Molecular FormulaC11H24N2O3
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name(4-aminopiperidin-4-yl)methanol;tert-butyl formate
SMILESCC(C)(C)OC=O.NC1(CO)CCNCC1
InChIInChI=1S/C6H14N2O.C5H10O2/c7-6(5-9)1-3-8-4-2-6;1-5(2,3)7-4-6/h8-9H,1-5,7H2;4H,1-3H3
InChIKeyWKAXRGAYAOCAOM-UHFFFAOYSA-N
XLogP0.02
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-4-yl)methanol;tert-butyl formate?
The IUPAC name of (4-aminopiperidin-4-yl)methanol;tert-butyl formate (CID 174950700) is (4-aminopiperidin-4-yl)methanol;tert-butyl formate.
What is the SMILES notation for (4-aminopiperidin-4-yl)methanol;tert-butyl formate?
The canonical SMILES for (4-aminopiperidin-4-yl)methanol;tert-butyl formate is CC(C)(C)OC=O.NC1(CO)CCNCC1.
What is the InChIKey of (4-aminopiperidin-4-yl)methanol;tert-butyl formate?
The InChIKey is WKAXRGAYAOCAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O.C5H10O2/c7-6(5-9)1-3-8-4-2-6;1-5(2,3)7-4-6/h8-9H,1-5,7H2;4H,1-3H3.
What are the key properties of (4-aminopiperidin-4-yl)methanol;tert-butyl formate?
(4-aminopiperidin-4-yl)methanol;tert-butyl formate has a molecular weight of 232.32 g/mol, XLogP of 0.02, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-4-yl)methanol;tert-butyl formate is sourced from PubChem (CID 174950700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).