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

C21H43N5 — CID 130208256

IUPAC1-methyl-4-[2-methyl-1-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]propan-2-yl]piperazine
SMILESCC(C)N1CCC(N2CCN(CC(C)(C)N3CCN(C)CC3)CC2)CC1
InChIInChI=1S/C21H43N5/c1-19(2)24-8-6-20(7-9-24)25-14-12-23(13-15-25)18-21(3,4)26-16-10-22(5)11-17-26/h19-20H,6-18H2,1-5H3
InChIKeyMVYPFBZHRKZEOR-UHFFFAOYSA-N
MW365.61 g/mol
LogP1.50
Rot. Bonds5

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

1-methyl-4-[2-methyl-1-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]propan-2-yl]piperazine (PubChem CID 130208256) has the molecular formula C21H43N5 and a molecular weight of 365.61 g/mol. Its IUPAC name is 1-methyl-4-[2-methyl-1-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]propan-2-yl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[2-methyl-1-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]propan-2-yl]piperazine
PubChem CID130208256
Molecular FormulaC21H43N5
Molecular Weight365.61 g/mol
Exact Mass365.35
IUPAC Name1-methyl-4-[2-methyl-1-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]propan-2-yl]piperazine
SMILESCC(C)N1CCC(N2CCN(CC(C)(C)N3CCN(C)CC3)CC2)CC1
InChIInChI=1S/C21H43N5/c1-19(2)24-8-6-20(7-9-24)25-14-12-23(13-15-25)18-21(3,4)26-16-10-22(5)11-17-26/h19-20H,6-18H2,1-5H3
InChIKeyMVYPFBZHRKZEOR-UHFFFAOYSA-N
XLogP1.50
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.61
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-methyl-1-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]propan-2-yl]piperazine?
The IUPAC name of 1-methyl-4-[2-methyl-1-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]propan-2-yl]piperazine (CID 130208256) is 1-methyl-4-[2-methyl-1-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]propan-2-yl]piperazine.
What is the SMILES notation for 1-methyl-4-[2-methyl-1-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]propan-2-yl]piperazine?
The canonical SMILES for 1-methyl-4-[2-methyl-1-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]propan-2-yl]piperazine is CC(C)N1CCC(N2CCN(CC(C)(C)N3CCN(C)CC3)CC2)CC1.
What is the InChIKey of 1-methyl-4-[2-methyl-1-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]propan-2-yl]piperazine?
The InChIKey is MVYPFBZHRKZEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43N5/c1-19(2)24-8-6-20(7-9-24)25-14-12-23(13-15-25)18-21(3,4)26-16-10-22(5)11-17-26/h19-20H,6-18H2,1-5H3.
What are the key properties of 1-methyl-4-[2-methyl-1-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]propan-2-yl]piperazine?
1-methyl-4-[2-methyl-1-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]propan-2-yl]piperazine has a molecular weight of 365.61 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-methyl-1-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]propan-2-yl]piperazine is sourced from PubChem (CID 130208256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).