1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-piperidin-4-yloxypropan-1-one

C17H30N2O2 — CID 114459951

IUPAC1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-piperidin-4-yloxypropan-1-one
SMILESCC(C)(C)C1=CCN(C(=O)CCOC2CCNCC2)CC1
InChIInChI=1S/C17H30N2O2/c1-17(2,3)14-6-11-19(12-7-14)16(20)8-13-21-15-4-9-18-10-5-15/h6,15,18H,4-5,7-13H2,1-3H3
InChIKeyFOROCTWHNNUKCO-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.35
Rot. Bonds4

About 1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-piperidin-4-yloxypropan-1-one

1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-piperidin-4-yloxypropan-1-one (PubChem CID 114459951) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-piperidin-4-yloxypropan-1-one.

Molecular Properties

Compound Name1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-piperidin-4-yloxypropan-1-one
PubChem CID114459951
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-piperidin-4-yloxypropan-1-one
SMILESCC(C)(C)C1=CCN(C(=O)CCOC2CCNCC2)CC1
InChIInChI=1S/C17H30N2O2/c1-17(2,3)14-6-11-19(12-7-14)16(20)8-13-21-15-4-9-18-10-5-15/h6,15,18H,4-5,7-13H2,1-3H3
InChIKeyFOROCTWHNNUKCO-UHFFFAOYSA-N
XLogP2.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-piperidin-4-yloxypropan-1-one?
The IUPAC name of 1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-piperidin-4-yloxypropan-1-one (CID 114459951) is 1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-piperidin-4-yloxypropan-1-one.
What is the SMILES notation for 1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-piperidin-4-yloxypropan-1-one?
The canonical SMILES for 1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-piperidin-4-yloxypropan-1-one is CC(C)(C)C1=CCN(C(=O)CCOC2CCNCC2)CC1.
What is the InChIKey of 1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-piperidin-4-yloxypropan-1-one?
The InChIKey is FOROCTWHNNUKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-17(2,3)14-6-11-19(12-7-14)16(20)8-13-21-15-4-9-18-10-5-15/h6,15,18H,4-5,7-13H2,1-3H3.
What are the key properties of 1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-piperidin-4-yloxypropan-1-one?
1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-piperidin-4-yloxypropan-1-one has a molecular weight of 294.44 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-piperidin-4-yloxypropan-1-one is sourced from PubChem (CID 114459951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).