1-phenyl-4-(5-propan-2-yl-2-pyridinyl)piperazine

C18H23N3 — CID 155403124

IUPAC1-phenyl-4-(5-propan-2-yl-2-pyridinyl)piperazine
SMILESCC(C)c1ccc(N2CCN(c3ccccc3)CC2)nc1
InChIInChI=1S/C18H23N3/c1-15(2)16-8-9-18(19-14-16)21-12-10-20(11-13-21)17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3
InChIKeyMAMUZWOWYAUKAN-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.53
Rot. Bonds3

About 1-phenyl-4-(5-propan-2-yl-2-pyridinyl)piperazine

1-phenyl-4-(5-propan-2-yl-2-pyridinyl)piperazine (PubChem CID 155403124) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-phenyl-4-(5-propan-2-yl-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-phenyl-4-(5-propan-2-yl-2-pyridinyl)piperazine
PubChem CID155403124
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name1-phenyl-4-(5-propan-2-yl-2-pyridinyl)piperazine
SMILESCC(C)c1ccc(N2CCN(c3ccccc3)CC2)nc1
InChIInChI=1S/C18H23N3/c1-15(2)16-8-9-18(19-14-16)21-12-10-20(11-13-21)17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3
InChIKeyMAMUZWOWYAUKAN-UHFFFAOYSA-N
XLogP3.53
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(5-propan-2-yl-2-pyridinyl)piperazine?
The IUPAC name of 1-phenyl-4-(5-propan-2-yl-2-pyridinyl)piperazine (CID 155403124) is 1-phenyl-4-(5-propan-2-yl-2-pyridinyl)piperazine.
What is the SMILES notation for 1-phenyl-4-(5-propan-2-yl-2-pyridinyl)piperazine?
The canonical SMILES for 1-phenyl-4-(5-propan-2-yl-2-pyridinyl)piperazine is CC(C)c1ccc(N2CCN(c3ccccc3)CC2)nc1.
What is the InChIKey of 1-phenyl-4-(5-propan-2-yl-2-pyridinyl)piperazine?
The InChIKey is MAMUZWOWYAUKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-15(2)16-8-9-18(19-14-16)21-12-10-20(11-13-21)17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3.
What are the key properties of 1-phenyl-4-(5-propan-2-yl-2-pyridinyl)piperazine?
1-phenyl-4-(5-propan-2-yl-2-pyridinyl)piperazine has a molecular weight of 281.40 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(5-propan-2-yl-2-pyridinyl)piperazine is sourced from PubChem (CID 155403124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).