1-methyl-4-[2-[3-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]propoxy]ethyl]piperazine

C20H41N3O2 — CID 153398953

IUPAC1-methyl-4-[2-[3-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]propoxy]ethyl]piperazine
SMILESCC(C)OCCN1CCCC(CCCOCCN2CCN(C)CC2)C1
InChIInChI=1S/C20H41N3O2/c1-19(2)25-17-14-23-8-4-6-20(18-23)7-5-15-24-16-13-22-11-9-21(3)10-12-22/h19-20H,4-18H2,1-3H3
InChIKeyYUYCVUKDSRBOAF-UHFFFAOYSA-N
MW355.57 g/mol
LogP2.17
Rot. Bonds11

About 1-methyl-4-[2-[3-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]propoxy]ethyl]piperazine

1-methyl-4-[2-[3-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]propoxy]ethyl]piperazine (PubChem CID 153398953) has the molecular formula C20H41N3O2 and a molecular weight of 355.57 g/mol. Its IUPAC name is 1-methyl-4-[2-[3-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]propoxy]ethyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[2-[3-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]propoxy]ethyl]piperazine
PubChem CID153398953
Molecular FormulaC20H41N3O2
Molecular Weight355.57 g/mol
Exact Mass355.32
IUPAC Name1-methyl-4-[2-[3-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]propoxy]ethyl]piperazine
SMILESCC(C)OCCN1CCCC(CCCOCCN2CCN(C)CC2)C1
InChIInChI=1S/C20H41N3O2/c1-19(2)25-17-14-23-8-4-6-20(18-23)7-5-15-24-16-13-22-11-9-21(3)10-12-22/h19-20H,4-18H2,1-3H3
InChIKeyYUYCVUKDSRBOAF-UHFFFAOYSA-N
XLogP2.17
TPSA28.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.57
LogP ≤ 52.17
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 1-methyl-4-[2-[3-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]propoxy]ethyl]piperazine?
The IUPAC name of 1-methyl-4-[2-[3-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]propoxy]ethyl]piperazine (CID 153398953) is 1-methyl-4-[2-[3-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]propoxy]ethyl]piperazine.
What is the SMILES notation for 1-methyl-4-[2-[3-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]propoxy]ethyl]piperazine?
The canonical SMILES for 1-methyl-4-[2-[3-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]propoxy]ethyl]piperazine is CC(C)OCCN1CCCC(CCCOCCN2CCN(C)CC2)C1.
What is the InChIKey of 1-methyl-4-[2-[3-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]propoxy]ethyl]piperazine?
The InChIKey is YUYCVUKDSRBOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N3O2/c1-19(2)25-17-14-23-8-4-6-20(18-23)7-5-15-24-16-13-22-11-9-21(3)10-12-22/h19-20H,4-18H2,1-3H3.
What are the key properties of 1-methyl-4-[2-[3-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]propoxy]ethyl]piperazine?
1-methyl-4-[2-[3-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]propoxy]ethyl]piperazine has a molecular weight of 355.57 g/mol, XLogP of 2.17, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-[3-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]propoxy]ethyl]piperazine is sourced from PubChem (CID 153398953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).