1-tert-butyl-4-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperazine

C20H34N4 — CID 171429399

IUPAC1-tert-butyl-4-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperazine
SMILESCc1ccc(N2CCC(CN3CCN(C(C)(C)C)CC3)CC2)nc1
InChIInChI=1S/C20H34N4/c1-17-5-6-19(21-15-17)23-9-7-18(8-10-23)16-22-11-13-24(14-12-22)20(2,3)4/h5-6,15,18H,7-14,16H2,1-4H3
InChIKeyFRKCPGSHNSSBAU-UHFFFAOYSA-N
MW330.52 g/mol
LogP3.02
Rot. Bonds3

About 1-tert-butyl-4-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperazine

1-tert-butyl-4-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperazine (PubChem CID 171429399) has the molecular formula C20H34N4 and a molecular weight of 330.52 g/mol. Its IUPAC name is 1-tert-butyl-4-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperazine
PubChem CID171429399
Molecular FormulaC20H34N4
Molecular Weight330.52 g/mol
Exact Mass330.28
IUPAC Name1-tert-butyl-4-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperazine
SMILESCc1ccc(N2CCC(CN3CCN(C(C)(C)C)CC3)CC2)nc1
InChIInChI=1S/C20H34N4/c1-17-5-6-19(21-15-17)23-9-7-18(8-10-23)16-22-11-13-24(14-12-22)20(2,3)4/h5-6,15,18H,7-14,16H2,1-4H3
InChIKeyFRKCPGSHNSSBAU-UHFFFAOYSA-N
XLogP3.02
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperazine?
The IUPAC name of 1-tert-butyl-4-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperazine (CID 171429399) is 1-tert-butyl-4-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperazine.
What is the SMILES notation for 1-tert-butyl-4-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperazine?
The canonical SMILES for 1-tert-butyl-4-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperazine is Cc1ccc(N2CCC(CN3CCN(C(C)(C)C)CC3)CC2)nc1.
What is the InChIKey of 1-tert-butyl-4-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperazine?
The InChIKey is FRKCPGSHNSSBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4/c1-17-5-6-19(21-15-17)23-9-7-18(8-10-23)16-22-11-13-24(14-12-22)20(2,3)4/h5-6,15,18H,7-14,16H2,1-4H3.
What are the key properties of 1-tert-butyl-4-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperazine?
1-tert-butyl-4-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperazine has a molecular weight of 330.52 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperazine is sourced from PubChem (CID 171429399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).