2-(4-benzhydrylpiperazin-1-yl)ethyl acetate

C21H26N2O2 — CID 57189910

IUPAC2-(4-benzhydrylpiperazin-1-yl)ethyl acetate
SMILESCC(=O)OCCN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H26N2O2/c1-18(24)25-17-16-22-12-14-23(15-13-22)21(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,21H,12-17H2,1H3
InChIKeyCRLFPKLDOBGDFU-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.96
Rot. Bonds6

About 2-(4-benzhydrylpiperazin-1-yl)ethyl acetate

2-(4-benzhydrylpiperazin-1-yl)ethyl acetate (PubChem CID 57189910) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-(4-benzhydrylpiperazin-1-yl)ethyl acetate.

Molecular Properties

Compound Name2-(4-benzhydrylpiperazin-1-yl)ethyl acetate
PubChem CID57189910
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-(4-benzhydrylpiperazin-1-yl)ethyl acetate
SMILESCC(=O)OCCN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H26N2O2/c1-18(24)25-17-16-22-12-14-23(15-13-22)21(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,21H,12-17H2,1H3
InChIKeyCRLFPKLDOBGDFU-UHFFFAOYSA-N
XLogP2.96
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzhydrylpiperazin-1-yl)ethyl thiophene-2-carboxylate;dihydrochloride
CID 139748881
2-(4-benzhydrylpiperazin-1-yl)ethyl furan-2-carboxylate;dihydrochloride
CID 139748867
1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine;oxalic acid
CID 71411854
2-[2-[4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetamide;2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetamide
CID 121489204
4-(4-benzhydrylpiperazin-1-yl)butan-2-amine
CID 71433044
[3-(4-benzhydrylpiperazin-1-yl)-1-phenylpropyl] propanoate
CID 3073540
2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetamide;dihydrochloride
CID 175673427
methyl 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetate
CID 608480
1-benzhydryl-4-octylpiperazine
CID 12006583
1-benzhydryl-4-butylpiperazine
CID 13416419
3-(4-benzhydrylpiperazin-1-yl)-N-propan-2-ylpropanamide
CID 33177312
3-(4-benzhydrylpiperazin-1-yl)-1-(3-methylphenyl)propan-1-one
CID 15645947

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)ethyl acetate?
The IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)ethyl acetate (CID 57189910) is 2-(4-benzhydrylpiperazin-1-yl)ethyl acetate.
What is the SMILES notation for 2-(4-benzhydrylpiperazin-1-yl)ethyl acetate?
The canonical SMILES for 2-(4-benzhydrylpiperazin-1-yl)ethyl acetate is CC(=O)OCCN1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-(4-benzhydrylpiperazin-1-yl)ethyl acetate?
The InChIKey is CRLFPKLDOBGDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-18(24)25-17-16-22-12-14-23(15-13-22)21(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,21H,12-17H2,1H3.
What are the key properties of 2-(4-benzhydrylpiperazin-1-yl)ethyl acetate?
2-(4-benzhydrylpiperazin-1-yl)ethyl acetate has a molecular weight of 338.45 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzhydrylpiperazin-1-yl)ethyl acetate is sourced from PubChem (CID 57189910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).