1-methyl-4-[3-(4-methylpiperidin-1-yl)pentan-2-yl]piperazine

C16H33N3 — CID 91260158

IUPAC1-methyl-4-[3-(4-methylpiperidin-1-yl)pentan-2-yl]piperazine
SMILESCCC(C(C)N1CCN(C)CC1)N1CCC(C)CC1
InChIInChI=1S/C16H33N3/c1-5-16(19-8-6-14(2)7-9-19)15(3)18-12-10-17(4)11-13-18/h14-16H,5-13H2,1-4H3
InChIKeyCELDAGSPGMLVHK-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.13
Rot. Bonds4

About 1-methyl-4-[3-(4-methylpiperidin-1-yl)pentan-2-yl]piperazine

1-methyl-4-[3-(4-methylpiperidin-1-yl)pentan-2-yl]piperazine (PubChem CID 91260158) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-methyl-4-[3-(4-methylpiperidin-1-yl)pentan-2-yl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[3-(4-methylpiperidin-1-yl)pentan-2-yl]piperazine
PubChem CID91260158
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name1-methyl-4-[3-(4-methylpiperidin-1-yl)pentan-2-yl]piperazine
SMILESCCC(C(C)N1CCN(C)CC1)N1CCC(C)CC1
InChIInChI=1S/C16H33N3/c1-5-16(19-8-6-14(2)7-9-19)15(3)18-12-10-17(4)11-13-18/h14-16H,5-13H2,1-4H3
InChIKeyCELDAGSPGMLVHK-UHFFFAOYSA-N
XLogP2.13
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(4-methylpiperidin-1-yl)pentan-2-yl]piperazine?
The IUPAC name of 1-methyl-4-[3-(4-methylpiperidin-1-yl)pentan-2-yl]piperazine (CID 91260158) is 1-methyl-4-[3-(4-methylpiperidin-1-yl)pentan-2-yl]piperazine.
What is the SMILES notation for 1-methyl-4-[3-(4-methylpiperidin-1-yl)pentan-2-yl]piperazine?
The canonical SMILES for 1-methyl-4-[3-(4-methylpiperidin-1-yl)pentan-2-yl]piperazine is CCC(C(C)N1CCN(C)CC1)N1CCC(C)CC1.
What is the InChIKey of 1-methyl-4-[3-(4-methylpiperidin-1-yl)pentan-2-yl]piperazine?
The InChIKey is CELDAGSPGMLVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-5-16(19-8-6-14(2)7-9-19)15(3)18-12-10-17(4)11-13-18/h14-16H,5-13H2,1-4H3.
What are the key properties of 1-methyl-4-[3-(4-methylpiperidin-1-yl)pentan-2-yl]piperazine?
1-methyl-4-[3-(4-methylpiperidin-1-yl)pentan-2-yl]piperazine has a molecular weight of 267.46 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(4-methylpiperidin-1-yl)pentan-2-yl]piperazine is sourced from PubChem (CID 91260158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).