3,3-dimethyl-1-(5-propan-2-yloxy-3-pyridinyl)piperazine

C14H23N3O — CID 82994220

IUPAC3,3-dimethyl-1-(5-propan-2-yloxy-3-pyridinyl)piperazine
SMILESCC(C)Oc1cncc(N2CCNC(C)(C)C2)c1
InChIInChI=1S/C14H23N3O/c1-11(2)18-13-7-12(8-15-9-13)17-6-5-16-14(3,4)10-17/h7-9,11,16H,5-6,10H2,1-4H3
InChIKeyZOKNMPKGZBWRMN-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.06
Rot. Bonds3

About 3,3-dimethyl-1-(5-propan-2-yloxy-3-pyridinyl)piperazine

3,3-dimethyl-1-(5-propan-2-yloxy-3-pyridinyl)piperazine (PubChem CID 82994220) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3,3-dimethyl-1-(5-propan-2-yloxy-3-pyridinyl)piperazine.

Molecular Properties

Compound Name3,3-dimethyl-1-(5-propan-2-yloxy-3-pyridinyl)piperazine
PubChem CID82994220
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3,3-dimethyl-1-(5-propan-2-yloxy-3-pyridinyl)piperazine
SMILESCC(C)Oc1cncc(N2CCNC(C)(C)C2)c1
InChIInChI=1S/C14H23N3O/c1-11(2)18-13-7-12(8-15-9-13)17-6-5-16-14(3,4)10-17/h7-9,11,16H,5-6,10H2,1-4H3
InChIKeyZOKNMPKGZBWRMN-UHFFFAOYSA-N
XLogP2.06
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(5-propan-2-yloxy-3-pyridinyl)piperazine?
The IUPAC name of 3,3-dimethyl-1-(5-propan-2-yloxy-3-pyridinyl)piperazine (CID 82994220) is 3,3-dimethyl-1-(5-propan-2-yloxy-3-pyridinyl)piperazine.
What is the SMILES notation for 3,3-dimethyl-1-(5-propan-2-yloxy-3-pyridinyl)piperazine?
The canonical SMILES for 3,3-dimethyl-1-(5-propan-2-yloxy-3-pyridinyl)piperazine is CC(C)Oc1cncc(N2CCNC(C)(C)C2)c1.
What is the InChIKey of 3,3-dimethyl-1-(5-propan-2-yloxy-3-pyridinyl)piperazine?
The InChIKey is ZOKNMPKGZBWRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11(2)18-13-7-12(8-15-9-13)17-6-5-16-14(3,4)10-17/h7-9,11,16H,5-6,10H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-(5-propan-2-yloxy-3-pyridinyl)piperazine?
3,3-dimethyl-1-(5-propan-2-yloxy-3-pyridinyl)piperazine has a molecular weight of 249.36 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(5-propan-2-yloxy-3-pyridinyl)piperazine is sourced from PubChem (CID 82994220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).