2-piperidin-1-ylethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate

C19H36N4O2 — CID 58135829

IUPAC2-piperidin-1-ylethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate
SMILESCN1CCN(C2CCN(CC(=O)OCCN3CCCCC3)CC2)CC1
InChIInChI=1S/C19H36N4O2/c1-20-11-13-23(14-12-20)18-5-9-22(10-6-18)17-19(24)25-16-15-21-7-3-2-4-8-21/h18H,2-17H2,1H3
InChIKeyPSPOXKXSUAIILI-UHFFFAOYSA-N
MW352.52 g/mol
LogP0.73
Rot. Bonds6

About 2-piperidin-1-ylethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate

2-piperidin-1-ylethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate (PubChem CID 58135829) has the molecular formula C19H36N4O2 and a molecular weight of 352.52 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate.

Molecular Properties

Compound Name2-piperidin-1-ylethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate
PubChem CID58135829
Molecular FormulaC19H36N4O2
Molecular Weight352.52 g/mol
Exact Mass352.28
IUPAC Name2-piperidin-1-ylethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate
SMILESCN1CCN(C2CCN(CC(=O)OCCN3CCCCC3)CC2)CC1
InChIInChI=1S/C19H36N4O2/c1-20-11-13-23(14-12-20)18-5-9-22(10-6-18)17-19(24)25-16-15-21-7-3-2-4-8-21/h18H,2-17H2,1H3
InChIKeyPSPOXKXSUAIILI-UHFFFAOYSA-N
XLogP0.73
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate?
The IUPAC name of 2-piperidin-1-ylethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate (CID 58135829) is 2-piperidin-1-ylethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate.
What is the SMILES notation for 2-piperidin-1-ylethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate?
The canonical SMILES for 2-piperidin-1-ylethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate is CN1CCN(C2CCN(CC(=O)OCCN3CCCCC3)CC2)CC1.
What is the InChIKey of 2-piperidin-1-ylethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate?
The InChIKey is PSPOXKXSUAIILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O2/c1-20-11-13-23(14-12-20)18-5-9-22(10-6-18)17-19(24)25-16-15-21-7-3-2-4-8-21/h18H,2-17H2,1H3.
What are the key properties of 2-piperidin-1-ylethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate?
2-piperidin-1-ylethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate has a molecular weight of 352.52 g/mol, XLogP of 0.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate is sourced from PubChem (CID 58135829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).