1-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl acetate

C20H31N3O2 — CID 174615690

IUPAC1-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl acetate
SMILESCC(=O)OC(C)N1CCC(N2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C20H31N3O2/c1-17(25-18(2)24)22-10-8-20(9-11-22)23-14-12-21(13-15-23)16-19-6-4-3-5-7-19/h3-7,17,20H,8-16H2,1-2H3
InChIKeyULVPJPVVMZRJSE-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.18
Rot. Bonds5

About 1-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl acetate

1-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl acetate (PubChem CID 174615690) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl acetate.

Molecular Properties

Compound Name1-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl acetate
PubChem CID174615690
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name1-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl acetate
SMILESCC(=O)OC(C)N1CCC(N2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C20H31N3O2/c1-17(25-18(2)24)22-10-8-20(9-11-22)23-14-12-21(13-15-23)16-19-6-4-3-5-7-19/h3-7,17,20H,8-16H2,1-2H3
InChIKeyULVPJPVVMZRJSE-UHFFFAOYSA-N
XLogP2.18
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(1-benzyl-4-methylpiperidin-4-yl)piperazin-1-yl]ethyl acetate
CID 174577813
2-methylpropyl 4-(4-benzylpiperazin-1-yl)piperidine-1-carboxylate
CID 142773340
4-(4-benzylpiperazin-1-yl)piperidine-1-carboxylic acid
CID 69053980
1-benzyl-4-cyclopropylpiperazine
CID 69195043
1-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]-3-methylbutan-1-one;oxalic acid
CID 2913366
1-benzyl-4-cyclohexylpiperazine;oxalic acid
CID 126476719
1-(1-benzylpiperidin-4-yl)-4-[(2R)-butan-2-yl]piperazine
CID 796148
1-(1-benzylpiperidin-4-yl)-4-[(4-bromophenyl)methyl]piperazine;oxalic acid
CID 17366692
1-(1-benzylpiperidin-4-yl)-4-[(3-methylphenyl)methyl]piperazine;oxalic acid
CID 17366774
1-(1-benzylpiperidin-4-yl)-4-[(4-methylsulfanylphenyl)methyl]piperazine;oxalic acid
CID 90483967
1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine;oxalic acid
CID 126477231
2-[1-(4-benzylpiperazin-1-yl)ethoxy]acetic acid
CID 140993599

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl acetate?
The IUPAC name of 1-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl acetate (CID 174615690) is 1-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl acetate.
What is the SMILES notation for 1-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl acetate?
The canonical SMILES for 1-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl acetate is CC(=O)OC(C)N1CCC(N2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 1-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl acetate?
The InChIKey is ULVPJPVVMZRJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-17(25-18(2)24)22-10-8-20(9-11-22)23-14-12-21(13-15-23)16-19-6-4-3-5-7-19/h3-7,17,20H,8-16H2,1-2H3.
What are the key properties of 1-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl acetate?
1-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl acetate has a molecular weight of 345.49 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl acetate is sourced from PubChem (CID 174615690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).