(4-tert-butylpiperidin-1-yl)-(1-methylazetidin-3-yl)methanone

C14H26N2O — CID 171417283

IUPAC(4-tert-butylpiperidin-1-yl)-(1-methylazetidin-3-yl)methanone
SMILESCN1CC(C(=O)N2CCC(C(C)(C)C)CC2)C1
InChIInChI=1S/C14H26N2O/c1-14(2,3)12-5-7-16(8-6-12)13(17)11-9-15(4)10-11/h11-12H,5-10H2,1-4H3
InChIKeyIRHZIDBBUKAPLB-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.83
Rot. Bonds1

About (4-tert-butylpiperidin-1-yl)-(1-methylazetidin-3-yl)methanone

(4-tert-butylpiperidin-1-yl)-(1-methylazetidin-3-yl)methanone (PubChem CID 171417283) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (4-tert-butylpiperidin-1-yl)-(1-methylazetidin-3-yl)methanone.

Molecular Properties

Compound Name(4-tert-butylpiperidin-1-yl)-(1-methylazetidin-3-yl)methanone
PubChem CID171417283
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(4-tert-butylpiperidin-1-yl)-(1-methylazetidin-3-yl)methanone
SMILESCN1CC(C(=O)N2CCC(C(C)(C)C)CC2)C1
InChIInChI=1S/C14H26N2O/c1-14(2,3)12-5-7-16(8-6-12)13(17)11-9-15(4)10-11/h11-12H,5-10H2,1-4H3
InChIKeyIRHZIDBBUKAPLB-UHFFFAOYSA-N
XLogP1.83
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylpiperidin-1-yl)-(1-methylazetidin-3-yl)methanone?
The IUPAC name of (4-tert-butylpiperidin-1-yl)-(1-methylazetidin-3-yl)methanone (CID 171417283) is (4-tert-butylpiperidin-1-yl)-(1-methylazetidin-3-yl)methanone.
What is the SMILES notation for (4-tert-butylpiperidin-1-yl)-(1-methylazetidin-3-yl)methanone?
The canonical SMILES for (4-tert-butylpiperidin-1-yl)-(1-methylazetidin-3-yl)methanone is CN1CC(C(=O)N2CCC(C(C)(C)C)CC2)C1.
What is the InChIKey of (4-tert-butylpiperidin-1-yl)-(1-methylazetidin-3-yl)methanone?
The InChIKey is IRHZIDBBUKAPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-14(2,3)12-5-7-16(8-6-12)13(17)11-9-15(4)10-11/h11-12H,5-10H2,1-4H3.
What are the key properties of (4-tert-butylpiperidin-1-yl)-(1-methylazetidin-3-yl)methanone?
(4-tert-butylpiperidin-1-yl)-(1-methylazetidin-3-yl)methanone has a molecular weight of 238.37 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylpiperidin-1-yl)-(1-methylazetidin-3-yl)methanone is sourced from PubChem (CID 171417283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).