(4-tert-butylpiperidin-1-yl)-piperazin-1-ylmethanone

C14H27N3O — CID 55032531

IUPAC(4-tert-butylpiperidin-1-yl)-piperazin-1-ylmethanone
SMILESCC(C)(C)C1CCN(C(=O)N2CCNCC2)CC1
InChIInChI=1S/C14H27N3O/c1-14(2,3)12-4-8-16(9-5-12)13(18)17-10-6-15-7-11-17/h12,15H,4-11H2,1-3H3
InChIKeyXWYGCECIQIQAPU-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.77
Rot. Bonds

About (4-tert-butylpiperidin-1-yl)-piperazin-1-ylmethanone

(4-tert-butylpiperidin-1-yl)-piperazin-1-ylmethanone (PubChem CID 55032531) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is (4-tert-butylpiperidin-1-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(4-tert-butylpiperidin-1-yl)-piperazin-1-ylmethanone
PubChem CID55032531
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name(4-tert-butylpiperidin-1-yl)-piperazin-1-ylmethanone
SMILESCC(C)(C)C1CCN(C(=O)N2CCNCC2)CC1
InChIInChI=1S/C14H27N3O/c1-14(2,3)12-4-8-16(9-5-12)13(18)17-10-6-15-7-11-17/h12,15H,4-11H2,1-3H3
InChIKeyXWYGCECIQIQAPU-UHFFFAOYSA-N
XLogP1.77
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylpiperidin-1-yl)-piperazin-1-ylmethanone?
The IUPAC name of (4-tert-butylpiperidin-1-yl)-piperazin-1-ylmethanone (CID 55032531) is (4-tert-butylpiperidin-1-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (4-tert-butylpiperidin-1-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (4-tert-butylpiperidin-1-yl)-piperazin-1-ylmethanone is CC(C)(C)C1CCN(C(=O)N2CCNCC2)CC1.
What is the InChIKey of (4-tert-butylpiperidin-1-yl)-piperazin-1-ylmethanone?
The InChIKey is XWYGCECIQIQAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-14(2,3)12-4-8-16(9-5-12)13(18)17-10-6-15-7-11-17/h12,15H,4-11H2,1-3H3.
What are the key properties of (4-tert-butylpiperidin-1-yl)-piperazin-1-ylmethanone?
(4-tert-butylpiperidin-1-yl)-piperazin-1-ylmethanone has a molecular weight of 253.39 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylpiperidin-1-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 55032531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).