tert-butyl formate;4-(3-hydroxypropyl)piperidin-4-ol

C13H27NO4 — CID 174761865

IUPACtert-butyl formate;4-(3-hydroxypropyl)piperidin-4-ol
SMILESCC(C)(C)OC=O.OCCCC1(O)CCNCC1
InChIInChI=1S/C8H17NO2.C5H10O2/c10-7-1-2-8(11)3-5-9-6-4-8;1-5(2,3)7-4-6/h9-11H,1-7H2;4H,1-3H3
InChIKeyQPQGPWQSQIMBDK-UHFFFAOYSA-N
MW261.36 g/mol
LogP0.83
Rot. Bonds4

About tert-butyl formate;4-(3-hydroxypropyl)piperidin-4-ol

tert-butyl formate;4-(3-hydroxypropyl)piperidin-4-ol (PubChem CID 174761865) has the molecular formula C13H27NO4 and a molecular weight of 261.36 g/mol. Its IUPAC name is tert-butyl formate;4-(3-hydroxypropyl)piperidin-4-ol.

Molecular Properties

Compound Nametert-butyl formate;4-(3-hydroxypropyl)piperidin-4-ol
PubChem CID174761865
Molecular FormulaC13H27NO4
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Nametert-butyl formate;4-(3-hydroxypropyl)piperidin-4-ol
SMILESCC(C)(C)OC=O.OCCCC1(O)CCNCC1
InChIInChI=1S/C8H17NO2.C5H10O2/c10-7-1-2-8(11)3-5-9-6-4-8;1-5(2,3)7-4-6/h9-11H,1-7H2;4H,1-3H3
InChIKeyQPQGPWQSQIMBDK-UHFFFAOYSA-N
XLogP0.83
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 50.83
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 tert-butyl formate;4-(3-hydroxypropyl)piperidin-4-ol?
The IUPAC name of tert-butyl formate;4-(3-hydroxypropyl)piperidin-4-ol (CID 174761865) is tert-butyl formate;4-(3-hydroxypropyl)piperidin-4-ol.
What is the SMILES notation for tert-butyl formate;4-(3-hydroxypropyl)piperidin-4-ol?
The canonical SMILES for tert-butyl formate;4-(3-hydroxypropyl)piperidin-4-ol is CC(C)(C)OC=O.OCCCC1(O)CCNCC1.
What is the InChIKey of tert-butyl formate;4-(3-hydroxypropyl)piperidin-4-ol?
The InChIKey is QPQGPWQSQIMBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.C5H10O2/c10-7-1-2-8(11)3-5-9-6-4-8;1-5(2,3)7-4-6/h9-11H,1-7H2;4H,1-3H3.
What are the key properties of tert-butyl formate;4-(3-hydroxypropyl)piperidin-4-ol?
tert-butyl formate;4-(3-hydroxypropyl)piperidin-4-ol has a molecular weight of 261.36 g/mol, XLogP of 0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;4-(3-hydroxypropyl)piperidin-4-ol is sourced from PubChem (CID 174761865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).