1-[6-[3,4-di(propan-2-yl)phenyl]-2-pyridinyl]piperazine

C21H29N3 — CID 67606505

IUPAC1-[6-[3,4-di(propan-2-yl)phenyl]-2-pyridinyl]piperazine
SMILESCC(C)c1ccc(-c2cccc(N3CCNCC3)n2)cc1C(C)C
InChIInChI=1S/C21H29N3/c1-15(2)18-9-8-17(14-19(18)16(3)4)20-6-5-7-21(23-20)24-12-10-22-11-13-24/h5-9,14-16,22H,10-13H2,1-4H3
InChIKeyILWANXGJJFUEBN-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.41
Rot. Bonds4

About 1-[6-[3,4-di(propan-2-yl)phenyl]-2-pyridinyl]piperazine

1-[6-[3,4-di(propan-2-yl)phenyl]-2-pyridinyl]piperazine (PubChem CID 67606505) has the molecular formula C21H29N3 and a molecular weight of 323.48 g/mol. Its IUPAC name is 1-[6-[3,4-di(propan-2-yl)phenyl]-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[6-[3,4-di(propan-2-yl)phenyl]-2-pyridinyl]piperazine
PubChem CID67606505
Molecular FormulaC21H29N3
Molecular Weight323.48 g/mol
Exact Mass323.24
IUPAC Name1-[6-[3,4-di(propan-2-yl)phenyl]-2-pyridinyl]piperazine
SMILESCC(C)c1ccc(-c2cccc(N3CCNCC3)n2)cc1C(C)C
InChIInChI=1S/C21H29N3/c1-15(2)18-9-8-17(14-19(18)16(3)4)20-6-5-7-21(23-20)24-12-10-22-11-13-24/h5-9,14-16,22H,10-13H2,1-4H3
InChIKeyILWANXGJJFUEBN-UHFFFAOYSA-N
XLogP4.41
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[3,4-di(propan-2-yl)phenyl]-2-pyridinyl]piperazine?
The IUPAC name of 1-[6-[3,4-di(propan-2-yl)phenyl]-2-pyridinyl]piperazine (CID 67606505) is 1-[6-[3,4-di(propan-2-yl)phenyl]-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[6-[3,4-di(propan-2-yl)phenyl]-2-pyridinyl]piperazine?
The canonical SMILES for 1-[6-[3,4-di(propan-2-yl)phenyl]-2-pyridinyl]piperazine is CC(C)c1ccc(-c2cccc(N3CCNCC3)n2)cc1C(C)C.
What is the InChIKey of 1-[6-[3,4-di(propan-2-yl)phenyl]-2-pyridinyl]piperazine?
The InChIKey is ILWANXGJJFUEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3/c1-15(2)18-9-8-17(14-19(18)16(3)4)20-6-5-7-21(23-20)24-12-10-22-11-13-24/h5-9,14-16,22H,10-13H2,1-4H3.
What are the key properties of 1-[6-[3,4-di(propan-2-yl)phenyl]-2-pyridinyl]piperazine?
1-[6-[3,4-di(propan-2-yl)phenyl]-2-pyridinyl]piperazine has a molecular weight of 323.48 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[3,4-di(propan-2-yl)phenyl]-2-pyridinyl]piperazine is sourced from PubChem (CID 67606505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).