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

C19H37N3O — CID 146256278

IUPAC(1-tert-butylpiperidin-4-yl)-[4-(diethylamino)piperidin-1-yl]methanone
SMILESCCN(CC)C1CCN(C(=O)C2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C19H37N3O/c1-6-20(7-2)17-10-12-21(13-11-17)18(23)16-8-14-22(15-9-16)19(3,4)5/h16-17H,6-15H2,1-5H3
InChIKeyNOYJMCOQQGRIGH-UHFFFAOYSA-N
MW323.53 g/mol
LogP2.83
Rot. Bonds4

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

(1-tert-butylpiperidin-4-yl)-[4-(diethylamino)piperidin-1-yl]methanone (PubChem CID 146256278) has the molecular formula C19H37N3O and a molecular weight of 323.53 g/mol. Its IUPAC name is (1-tert-butylpiperidin-4-yl)-[4-(diethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-tert-butylpiperidin-4-yl)-[4-(diethylamino)piperidin-1-yl]methanone
PubChem CID146256278
Molecular FormulaC19H37N3O
Molecular Weight323.53 g/mol
Exact Mass323.29
IUPAC Name(1-tert-butylpiperidin-4-yl)-[4-(diethylamino)piperidin-1-yl]methanone
SMILESCCN(CC)C1CCN(C(=O)C2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C19H37N3O/c1-6-20(7-2)17-10-12-21(13-11-17)18(23)16-8-14-22(15-9-16)19(3,4)5/h16-17H,6-15H2,1-5H3
InChIKeyNOYJMCOQQGRIGH-UHFFFAOYSA-N
XLogP2.83
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.53
LogP ≤ 52.83
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-(diethylamino)piperidin-1-yl]methanone?
The IUPAC name of (1-tert-butylpiperidin-4-yl)-[4-(diethylamino)piperidin-1-yl]methanone (CID 146256278) is (1-tert-butylpiperidin-4-yl)-[4-(diethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (1-tert-butylpiperidin-4-yl)-[4-(diethylamino)piperidin-1-yl]methanone?
The canonical SMILES for (1-tert-butylpiperidin-4-yl)-[4-(diethylamino)piperidin-1-yl]methanone is CCN(CC)C1CCN(C(=O)C2CCN(C(C)(C)C)CC2)CC1.
What is the InChIKey of (1-tert-butylpiperidin-4-yl)-[4-(diethylamino)piperidin-1-yl]methanone?
The InChIKey is NOYJMCOQQGRIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O/c1-6-20(7-2)17-10-12-21(13-11-17)18(23)16-8-14-22(15-9-16)19(3,4)5/h16-17H,6-15H2,1-5H3.
What are the key properties of (1-tert-butylpiperidin-4-yl)-[4-(diethylamino)piperidin-1-yl]methanone?
(1-tert-butylpiperidin-4-yl)-[4-(diethylamino)piperidin-1-yl]methanone has a molecular weight of 323.53 g/mol, XLogP of 2.83, 4 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-(diethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 146256278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).