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

C18H29NO3 — CID 174826252

IUPAC(4-benzylpiperidin-4-yl)methanol;tert-butyl formate
SMILESCC(C)(C)OC=O.OCC1(Cc2ccccc2)CCNCC1
InChIInChI=1S/C13H19NO.C5H10O2/c15-11-13(6-8-14-9-7-13)10-12-4-2-1-3-5-12;1-5(2,3)7-4-6/h1-5,14-15H,6-11H2;4H,1-3H3
InChIKeyUYQFNRFMZLSCTK-UHFFFAOYSA-N
MW307.43 g/mol
LogP2.55
Rot. Bonds4

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

(4-benzylpiperidin-4-yl)methanol;tert-butyl formate (PubChem CID 174826252) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is (4-benzylpiperidin-4-yl)methanol;tert-butyl formate.

Molecular Properties

Compound Name(4-benzylpiperidin-4-yl)methanol;tert-butyl formate
PubChem CID174826252
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name(4-benzylpiperidin-4-yl)methanol;tert-butyl formate
SMILESCC(C)(C)OC=O.OCC1(Cc2ccccc2)CCNCC1
InChIInChI=1S/C13H19NO.C5H10O2/c15-11-13(6-8-14-9-7-13)10-12-4-2-1-3-5-12;1-5(2,3)7-4-6/h1-5,14-15H,6-11H2;4H,1-3H3
InChIKeyUYQFNRFMZLSCTK-UHFFFAOYSA-N
XLogP2.55
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 52.55
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 (4-benzylpiperidin-4-yl)methanol;tert-butyl formate?
The IUPAC name of (4-benzylpiperidin-4-yl)methanol;tert-butyl formate (CID 174826252) is (4-benzylpiperidin-4-yl)methanol;tert-butyl formate.
What is the SMILES notation for (4-benzylpiperidin-4-yl)methanol;tert-butyl formate?
The canonical SMILES for (4-benzylpiperidin-4-yl)methanol;tert-butyl formate is CC(C)(C)OC=O.OCC1(Cc2ccccc2)CCNCC1.
What is the InChIKey of (4-benzylpiperidin-4-yl)methanol;tert-butyl formate?
The InChIKey is UYQFNRFMZLSCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.C5H10O2/c15-11-13(6-8-14-9-7-13)10-12-4-2-1-3-5-12;1-5(2,3)7-4-6/h1-5,14-15H,6-11H2;4H,1-3H3.
What are the key properties of (4-benzylpiperidin-4-yl)methanol;tert-butyl formate?
(4-benzylpiperidin-4-yl)methanol;tert-butyl formate has a molecular weight of 307.43 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-4-yl)methanol;tert-butyl formate is sourced from PubChem (CID 174826252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).