(1-tert-butylpiperidin-4-yl) N-benzhydrylcarbamate

C23H30N2O2 — CID 20624964

IUPAC(1-tert-butylpiperidin-4-yl) N-benzhydrylcarbamate
SMILESCC(C)(C)N1CCC(OC(=O)NC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H30N2O2/c1-23(2,3)25-16-14-20(15-17-25)27-22(26)24-21(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,20-21H,14-17H2,1-3H3,(H,24,26)
InChIKeyAPNTUYJJYRXDBH-UHFFFAOYSA-N
MW366.50 g/mol
LogP4.77
Rot. Bonds4

About (1-tert-butylpiperidin-4-yl) N-benzhydrylcarbamate

(1-tert-butylpiperidin-4-yl) N-benzhydrylcarbamate (PubChem CID 20624964) has the molecular formula C23H30N2O2 and a molecular weight of 366.50 g/mol. Its IUPAC name is (1-tert-butylpiperidin-4-yl) N-benzhydrylcarbamate.

Molecular Properties

Compound Name(1-tert-butylpiperidin-4-yl) N-benzhydrylcarbamate
PubChem CID20624964
Molecular FormulaC23H30N2O2
Molecular Weight366.50 g/mol
Exact Mass366.23
IUPAC Name(1-tert-butylpiperidin-4-yl) N-benzhydrylcarbamate
SMILESCC(C)(C)N1CCC(OC(=O)NC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H30N2O2/c1-23(2,3)25-16-14-20(15-17-25)27-22(26)24-21(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,20-21H,14-17H2,1-3H3,(H,24,26)
InChIKeyAPNTUYJJYRXDBH-UHFFFAOYSA-N
XLogP4.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-tert-butylpiperidin-4-yl) N-benzhydrylcarbamate?
The IUPAC name of (1-tert-butylpiperidin-4-yl) N-benzhydrylcarbamate (CID 20624964) is (1-tert-butylpiperidin-4-yl) N-benzhydrylcarbamate.
What is the SMILES notation for (1-tert-butylpiperidin-4-yl) N-benzhydrylcarbamate?
The canonical SMILES for (1-tert-butylpiperidin-4-yl) N-benzhydrylcarbamate is CC(C)(C)N1CCC(OC(=O)NC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (1-tert-butylpiperidin-4-yl) N-benzhydrylcarbamate?
The InChIKey is APNTUYJJYRXDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-23(2,3)25-16-14-20(15-17-25)27-22(26)24-21(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,20-21H,14-17H2,1-3H3,(H,24,26).
What are the key properties of (1-tert-butylpiperidin-4-yl) N-benzhydrylcarbamate?
(1-tert-butylpiperidin-4-yl) N-benzhydrylcarbamate has a molecular weight of 366.50 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butylpiperidin-4-yl) N-benzhydrylcarbamate is sourced from PubChem (CID 20624964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).