1,4-bis[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine

C22H44N4 — CID 155184458

IUPAC1,4-bis[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
SMILESCC(C)N1CCC(CN2CCN(CC3CCN(C(C)C)CC3)CC2)CC1
InChIInChI=1S/C22H44N4/c1-19(2)25-9-5-21(6-10-25)17-23-13-15-24(16-14-23)18-22-7-11-26(12-8-22)20(3)4/h19-22H,5-18H2,1-4H3
InChIKeyMCWVXFCKGFIXES-UHFFFAOYSA-N
MW364.62 g/mol
LogP2.84
Rot. Bonds6

About 1,4-bis[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine

1,4-bis[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine (PubChem CID 155184458) has the molecular formula C22H44N4 and a molecular weight of 364.62 g/mol. Its IUPAC name is 1,4-bis[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1,4-bis[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
PubChem CID155184458
Molecular FormulaC22H44N4
Molecular Weight364.62 g/mol
Exact Mass364.36
IUPAC Name1,4-bis[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
SMILESCC(C)N1CCC(CN2CCN(CC3CCN(C(C)C)CC3)CC2)CC1
InChIInChI=1S/C22H44N4/c1-19(2)25-9-5-21(6-10-25)17-23-13-15-24(16-14-23)18-22-7-11-26(12-8-22)20(3)4/h19-22H,5-18H2,1-4H3
InChIKeyMCWVXFCKGFIXES-UHFFFAOYSA-N
XLogP2.84
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.62
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine?
The IUPAC name of 1,4-bis[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine (CID 155184458) is 1,4-bis[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine.
What is the SMILES notation for 1,4-bis[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine?
The canonical SMILES for 1,4-bis[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine is CC(C)N1CCC(CN2CCN(CC3CCN(C(C)C)CC3)CC2)CC1.
What is the InChIKey of 1,4-bis[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine?
The InChIKey is MCWVXFCKGFIXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N4/c1-19(2)25-9-5-21(6-10-25)17-23-13-15-24(16-14-23)18-22-7-11-26(12-8-22)20(3)4/h19-22H,5-18H2,1-4H3.
What are the key properties of 1,4-bis[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine?
1,4-bis[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine has a molecular weight of 364.62 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine is sourced from PubChem (CID 155184458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).