tert-butyl formate;phenyl(piperidin-4-yl)methanol

C17H27NO3 — CID 174757388

IUPACtert-butyl formate;phenyl(piperidin-4-yl)methanol
SMILESCC(C)(C)OC=O.OC(c1ccccc1)C1CCNCC1
InChIInChI=1S/C12H17NO.C5H10O2/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11;1-5(2,3)7-4-6/h1-5,11-14H,6-9H2;4H,1-3H3
InChIKeyBQDVTBYNRPRTFK-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.68
Rot. Bonds3

About tert-butyl formate;phenyl(piperidin-4-yl)methanol

tert-butyl formate;phenyl(piperidin-4-yl)methanol (PubChem CID 174757388) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is tert-butyl formate;phenyl(piperidin-4-yl)methanol.

Molecular Properties

Compound Nametert-butyl formate;phenyl(piperidin-4-yl)methanol
PubChem CID174757388
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Nametert-butyl formate;phenyl(piperidin-4-yl)methanol
SMILESCC(C)(C)OC=O.OC(c1ccccc1)C1CCNCC1
InChIInChI=1S/C12H17NO.C5H10O2/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11;1-5(2,3)7-4-6/h1-5,11-14H,6-9H2;4H,1-3H3
InChIKeyBQDVTBYNRPRTFK-UHFFFAOYSA-N
XLogP2.68
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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;phenyl(piperidin-4-yl)methanol?
The IUPAC name of tert-butyl formate;phenyl(piperidin-4-yl)methanol (CID 174757388) is tert-butyl formate;phenyl(piperidin-4-yl)methanol.
What is the SMILES notation for tert-butyl formate;phenyl(piperidin-4-yl)methanol?
The canonical SMILES for tert-butyl formate;phenyl(piperidin-4-yl)methanol is CC(C)(C)OC=O.OC(c1ccccc1)C1CCNCC1.
What is the InChIKey of tert-butyl formate;phenyl(piperidin-4-yl)methanol?
The InChIKey is BQDVTBYNRPRTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.C5H10O2/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11;1-5(2,3)7-4-6/h1-5,11-14H,6-9H2;4H,1-3H3.
What are the key properties of tert-butyl formate;phenyl(piperidin-4-yl)methanol?
tert-butyl formate;phenyl(piperidin-4-yl)methanol has a molecular weight of 293.41 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;phenyl(piperidin-4-yl)methanol is sourced from PubChem (CID 174757388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).