(1-tert-butylpiperidin-4-yl)-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone

C17H33N3O — CID 146256270

IUPAC(1-tert-butylpiperidin-4-yl)-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
SMILESCN(C)CC1CCN(C(=O)C2CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/C17H33N3O/c1-17(2,3)20-10-7-15(8-11-20)16(21)19-9-6-14(13-19)12-18(4)5/h14-15H,6-13H2,1-5H3
InChIKeyTYTRSGMATYYBCU-UHFFFAOYSA-N
MW295.47 g/mol
LogP1.91
Rot. Bonds3

About (1-tert-butylpiperidin-4-yl)-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone

(1-tert-butylpiperidin-4-yl)-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone (PubChem CID 146256270) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is (1-tert-butylpiperidin-4-yl)-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-tert-butylpiperidin-4-yl)-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
PubChem CID146256270
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name(1-tert-butylpiperidin-4-yl)-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
SMILESCN(C)CC1CCN(C(=O)C2CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/C17H33N3O/c1-17(2,3)20-10-7-15(8-11-20)16(21)19-9-6-14(13-19)12-18(4)5/h14-15H,6-13H2,1-5H3
InChIKeyTYTRSGMATYYBCU-UHFFFAOYSA-N
XLogP1.91
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 51.91
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)-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (1-tert-butylpiperidin-4-yl)-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone (CID 146256270) is (1-tert-butylpiperidin-4-yl)-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-tert-butylpiperidin-4-yl)-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-tert-butylpiperidin-4-yl)-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone is CN(C)CC1CCN(C(=O)C2CCN(C(C)(C)C)CC2)C1.
What is the InChIKey of (1-tert-butylpiperidin-4-yl)-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is TYTRSGMATYYBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-17(2,3)20-10-7-15(8-11-20)16(21)19-9-6-14(13-19)12-18(4)5/h14-15H,6-13H2,1-5H3.
What are the key properties of (1-tert-butylpiperidin-4-yl)-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone?
(1-tert-butylpiperidin-4-yl)-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 295.47 g/mol, XLogP of 1.91, 3 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)-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 146256270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).