2-[2,6-dimethyl-4-(3-propan-2-yloxypropyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone

C21H42N4O2 — CID 170363840

IUPAC2-[2,6-dimethyl-4-(3-propan-2-yloxypropyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(C)OCCCN1CC(C)N(CC(=O)N2CCN(C(C)C)CC2)C(C)C1
InChIInChI=1S/C21H42N4O2/c1-17(2)23-9-11-24(12-10-23)21(26)16-25-19(5)14-22(15-20(25)6)8-7-13-27-18(3)4/h17-20H,7-16H2,1-6H3
InChIKeyQKPVHWDYTCCYTP-UHFFFAOYSA-N
MW382.59 g/mol
LogP1.75
Rot. Bonds8

About 2-[2,6-dimethyl-4-(3-propan-2-yloxypropyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone

2-[2,6-dimethyl-4-(3-propan-2-yloxypropyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone (PubChem CID 170363840) has the molecular formula C21H42N4O2 and a molecular weight of 382.59 g/mol. Its IUPAC name is 2-[2,6-dimethyl-4-(3-propan-2-yloxypropyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2,6-dimethyl-4-(3-propan-2-yloxypropyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
PubChem CID170363840
Molecular FormulaC21H42N4O2
Molecular Weight382.59 g/mol
Exact Mass382.33
IUPAC Name2-[2,6-dimethyl-4-(3-propan-2-yloxypropyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(C)OCCCN1CC(C)N(CC(=O)N2CCN(C(C)C)CC2)C(C)C1
InChIInChI=1S/C21H42N4O2/c1-17(2)23-9-11-24(12-10-23)21(26)16-25-19(5)14-22(15-20(25)6)8-7-13-27-18(3)4/h17-20H,7-16H2,1-6H3
InChIKeyQKPVHWDYTCCYTP-UHFFFAOYSA-N
XLogP1.75
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.59
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dimethyl-4-(3-propan-2-yloxypropyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[2,6-dimethyl-4-(3-propan-2-yloxypropyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone (CID 170363840) is 2-[2,6-dimethyl-4-(3-propan-2-yloxypropyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[2,6-dimethyl-4-(3-propan-2-yloxypropyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[2,6-dimethyl-4-(3-propan-2-yloxypropyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone is CC(C)OCCCN1CC(C)N(CC(=O)N2CCN(C(C)C)CC2)C(C)C1.
What is the InChIKey of 2-[2,6-dimethyl-4-(3-propan-2-yloxypropyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The InChIKey is QKPVHWDYTCCYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N4O2/c1-17(2)23-9-11-24(12-10-23)21(26)16-25-19(5)14-22(15-20(25)6)8-7-13-27-18(3)4/h17-20H,7-16H2,1-6H3.
What are the key properties of 2-[2,6-dimethyl-4-(3-propan-2-yloxypropyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
2-[2,6-dimethyl-4-(3-propan-2-yloxypropyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone has a molecular weight of 382.59 g/mol, XLogP of 1.75, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dimethyl-4-(3-propan-2-yloxypropyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 170363840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).