2-(4-benzhydrylpiperazin-1-yl)ethyl thiophene-2-carboxylate;dihydrochloride

C24H28Cl2N2O2S — CID 139748881

IUPAC2-(4-benzhydrylpiperazin-1-yl)ethyl thiophene-2-carboxylate;dihydrochloride
SMILESCl.Cl.O=C(OCCN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1cccs1
InChIInChI=1S/C24H26N2O2S.2ClH/c27-24(22-12-7-19-29-22)28-18-17-25-13-15-26(16-14-25)23(20-8-3-1-4-9-20)21-10-5-2-6-11-21;;/h1-12,19,23H,13-18H2;2*1H
InChIKeyBAGZCHZNUWRZCN-UHFFFAOYSA-N
MW479.47 g/mol
LogP5.16
Rot. Bonds7

About 2-(4-benzhydrylpiperazin-1-yl)ethyl thiophene-2-carboxylate;dihydrochloride

2-(4-benzhydrylpiperazin-1-yl)ethyl thiophene-2-carboxylate;dihydrochloride (PubChem CID 139748881) has the molecular formula C24H28Cl2N2O2S and a molecular weight of 479.47 g/mol. Its IUPAC name is 2-(4-benzhydrylpiperazin-1-yl)ethyl thiophene-2-carboxylate;dihydrochloride.

Molecular Properties

Compound Name2-(4-benzhydrylpiperazin-1-yl)ethyl thiophene-2-carboxylate;dihydrochloride
PubChem CID139748881
Molecular FormulaC24H28Cl2N2O2S
Molecular Weight479.47 g/mol
Exact Mass478.12
IUPAC Name2-(4-benzhydrylpiperazin-1-yl)ethyl thiophene-2-carboxylate;dihydrochloride
SMILESCl.Cl.O=C(OCCN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1cccs1
InChIInChI=1S/C24H26N2O2S.2ClH/c27-24(22-12-7-19-29-22)28-18-17-25-13-15-26(16-14-25)23(20-8-3-1-4-9-20)21-10-5-2-6-11-21;;/h1-12,19,23H,13-18H2;2*1H
InChIKeyBAGZCHZNUWRZCN-UHFFFAOYSA-N
XLogP5.16
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.47
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-benzhydrylpiperazin-1-yl)ethyl acetate
CID 57189910
2-(4-benzhydrylpiperazin-1-yl)ethyl furan-2-carboxylate;dihydrochloride
CID 139748867
(4-benzhydrylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 1154208
2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetamide;dihydrochloride
CID 175673427
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
chloro 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetate
CID 176914942
3-(thiophene-2-carbonyloxy)propanoic acid
CID 138555972
1-benzhydryl-4-(3-chloropropyl)piperazine
CID 10936372
1-benzhydryl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine;dihydrochloride
CID 19849738
1-(4-benzhydrylpiperazin-1-yl)-2-[(Z)-1-thiophen-2-ylethylideneamino]oxyethanone
CID 6381091
2-[2-[4-[(R)-(3-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid
CID 76968869

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)ethyl thiophene-2-carboxylate;dihydrochloride?
The IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)ethyl thiophene-2-carboxylate;dihydrochloride (CID 139748881) is 2-(4-benzhydrylpiperazin-1-yl)ethyl thiophene-2-carboxylate;dihydrochloride.
What is the SMILES notation for 2-(4-benzhydrylpiperazin-1-yl)ethyl thiophene-2-carboxylate;dihydrochloride?
The canonical SMILES for 2-(4-benzhydrylpiperazin-1-yl)ethyl thiophene-2-carboxylate;dihydrochloride is Cl.Cl.O=C(OCCN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1cccs1.
What is the InChIKey of 2-(4-benzhydrylpiperazin-1-yl)ethyl thiophene-2-carboxylate;dihydrochloride?
The InChIKey is BAGZCHZNUWRZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2S.2ClH/c27-24(22-12-7-19-29-22)28-18-17-25-13-15-26(16-14-25)23(20-8-3-1-4-9-20)21-10-5-2-6-11-21;;/h1-12,19,23H,13-18H2;2*1H.
What are the key properties of 2-(4-benzhydrylpiperazin-1-yl)ethyl thiophene-2-carboxylate;dihydrochloride?
2-(4-benzhydrylpiperazin-1-yl)ethyl thiophene-2-carboxylate;dihydrochloride has a molecular weight of 479.47 g/mol, XLogP of 5.16, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzhydrylpiperazin-1-yl)ethyl thiophene-2-carboxylate;dihydrochloride is sourced from PubChem (CID 139748881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).