1-[6-(3-propan-2-yl-4-propoxyphenyl)-2-pyridinyl]piperazine

C21H29N3O — CID 67608782

IUPAC1-[6-(3-propan-2-yl-4-propoxyphenyl)-2-pyridinyl]piperazine
SMILESCCCOc1ccc(-c2cccc(N3CCNCC3)n2)cc1C(C)C
InChIInChI=1S/C21H29N3O/c1-4-14-25-20-9-8-17(15-18(20)16(2)3)19-6-5-7-21(23-19)24-12-10-22-11-13-24/h5-9,15-16,22H,4,10-14H2,1-3H3
InChIKeyVAYUKPJMGSVLFM-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.07
Rot. Bonds6

About 1-[6-(3-propan-2-yl-4-propoxyphenyl)-2-pyridinyl]piperazine

1-[6-(3-propan-2-yl-4-propoxyphenyl)-2-pyridinyl]piperazine (PubChem CID 67608782) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 1-[6-(3-propan-2-yl-4-propoxyphenyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[6-(3-propan-2-yl-4-propoxyphenyl)-2-pyridinyl]piperazine
PubChem CID67608782
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name1-[6-(3-propan-2-yl-4-propoxyphenyl)-2-pyridinyl]piperazine
SMILESCCCOc1ccc(-c2cccc(N3CCNCC3)n2)cc1C(C)C
InChIInChI=1S/C21H29N3O/c1-4-14-25-20-9-8-17(15-18(20)16(2)3)19-6-5-7-21(23-19)24-12-10-22-11-13-24/h5-9,15-16,22H,4,10-14H2,1-3H3
InChIKeyVAYUKPJMGSVLFM-UHFFFAOYSA-N
XLogP4.07
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-propan-2-yl-4-propoxyphenyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-[6-(3-propan-2-yl-4-propoxyphenyl)-2-pyridinyl]piperazine (CID 67608782) is 1-[6-(3-propan-2-yl-4-propoxyphenyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[6-(3-propan-2-yl-4-propoxyphenyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-[6-(3-propan-2-yl-4-propoxyphenyl)-2-pyridinyl]piperazine is CCCOc1ccc(-c2cccc(N3CCNCC3)n2)cc1C(C)C.
What is the InChIKey of 1-[6-(3-propan-2-yl-4-propoxyphenyl)-2-pyridinyl]piperazine?
The InChIKey is VAYUKPJMGSVLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-4-14-25-20-9-8-17(15-18(20)16(2)3)19-6-5-7-21(23-19)24-12-10-22-11-13-24/h5-9,15-16,22H,4,10-14H2,1-3H3.
What are the key properties of 1-[6-(3-propan-2-yl-4-propoxyphenyl)-2-pyridinyl]piperazine?
1-[6-(3-propan-2-yl-4-propoxyphenyl)-2-pyridinyl]piperazine has a molecular weight of 339.48 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-propan-2-yl-4-propoxyphenyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 67608782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).