(1-tert-butylpiperidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone

C17H33N3O — CID 118531400

IUPAC(1-tert-butylpiperidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)C2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C17H33N3O/c1-17(2,3)20-12-6-14(7-13-20)16(21)19-10-8-15(9-11-19)18(4)5/h14-15H,6-13H2,1-5H3
InChIKeyUKPKBSDDIYDGSB-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.05
Rot. Bonds2

About (1-tert-butylpiperidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone

(1-tert-butylpiperidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone (PubChem CID 118531400) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is (1-tert-butylpiperidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-tert-butylpiperidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
PubChem CID118531400
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name(1-tert-butylpiperidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)C2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C17H33N3O/c1-17(2,3)20-12-6-14(7-13-20)16(21)19-10-8-15(9-11-19)18(4)5/h14-15H,6-13H2,1-5H3
InChIKeyUKPKBSDDIYDGSB-UHFFFAOYSA-N
XLogP2.05
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-tert-butylpiperidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone?
The IUPAC name of (1-tert-butylpiperidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone (CID 118531400) is (1-tert-butylpiperidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (1-tert-butylpiperidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone?
The canonical SMILES for (1-tert-butylpiperidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone is CN(C)C1CCN(C(=O)C2CCN(C(C)(C)C)CC2)CC1.
What is the InChIKey of (1-tert-butylpiperidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone?
The InChIKey is UKPKBSDDIYDGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-17(2,3)20-12-6-14(7-13-20)16(21)19-10-8-15(9-11-19)18(4)5/h14-15H,6-13H2,1-5H3.
What are the key properties of (1-tert-butylpiperidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone?
(1-tert-butylpiperidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone has a molecular weight of 295.47 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butylpiperidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 118531400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).