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

C24H28Cl2N2O3 — CID 139748867

IUPAC2-(4-benzhydrylpiperazin-1-yl)ethyl furan-2-carboxylate;dihydrochloride
SMILESCl.Cl.O=C(OCCN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccco1
InChIInChI=1S/C24H26N2O3.2ClH/c27-24(22-12-7-18-28-22)29-19-17-25-13-15-26(16-14-25)23(20-8-3-1-4-9-20)21-10-5-2-6-11-21;;/h1-12,18,23H,13-17,19H2;2*1H
InChIKeyFGVVPGBXCPNSES-UHFFFAOYSA-N
MW463.41 g/mol
LogP4.69
Rot. Bonds7

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

2-(4-benzhydrylpiperazin-1-yl)ethyl furan-2-carboxylate;dihydrochloride (PubChem CID 139748867) has the molecular formula C24H28Cl2N2O3 and a molecular weight of 463.41 g/mol. Its IUPAC name is 2-(4-benzhydrylpiperazin-1-yl)ethyl furan-2-carboxylate;dihydrochloride.

Molecular Properties

Compound Name2-(4-benzhydrylpiperazin-1-yl)ethyl furan-2-carboxylate;dihydrochloride
PubChem CID139748867
Molecular FormulaC24H28Cl2N2O3
Molecular Weight463.41 g/mol
Exact Mass462.15
IUPAC Name2-(4-benzhydrylpiperazin-1-yl)ethyl furan-2-carboxylate;dihydrochloride
SMILESCl.Cl.O=C(OCCN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccco1
InChIInChI=1S/C24H26N2O3.2ClH/c27-24(22-12-7-18-28-22)29-19-17-25-13-15-26(16-14-25)23(20-8-3-1-4-9-20)21-10-5-2-6-11-21;;/h1-12,18,23H,13-17,19H2;2*1H
InChIKeyFGVVPGBXCPNSES-UHFFFAOYSA-N
XLogP4.69
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.41
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-benzhydrylpiperazin-1-yl)ethyl thiophene-2-carboxylate;dihydrochloride
CID 139748881
2-(4-benzhydrylpiperazin-1-yl)ethyl acetate
CID 57189910
2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetamide;dihydrochloride
CID 175673427
3-[4-(2-benzhydryloxyethyl)piperidin-1-yl]-1-(furan-2-yl)propan-1-one
CID 170859253
1-benzhydryl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine;dihydrochloride
CID 19849738
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
2-(4-benzylpiperazin-1-yl)ethyl benzoate
CID 24842101
furan-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 113073228
3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl furan-2-carboxylate
CID 15572537
3-(4-benzhydrylpiperazin-1-yl)-N-(furan-2-ylmethylideneamino)propanamide
CID 3393441
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 furan-2-carboxylate;dihydrochloride?
The IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)ethyl furan-2-carboxylate;dihydrochloride (CID 139748867) is 2-(4-benzhydrylpiperazin-1-yl)ethyl furan-2-carboxylate;dihydrochloride.
What is the SMILES notation for 2-(4-benzhydrylpiperazin-1-yl)ethyl furan-2-carboxylate;dihydrochloride?
The canonical SMILES for 2-(4-benzhydrylpiperazin-1-yl)ethyl furan-2-carboxylate;dihydrochloride is Cl.Cl.O=C(OCCN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccco1.
What is the InChIKey of 2-(4-benzhydrylpiperazin-1-yl)ethyl furan-2-carboxylate;dihydrochloride?
The InChIKey is FGVVPGBXCPNSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3.2ClH/c27-24(22-12-7-18-28-22)29-19-17-25-13-15-26(16-14-25)23(20-8-3-1-4-9-20)21-10-5-2-6-11-21;;/h1-12,18,23H,13-17,19H2;2*1H.
What are the key properties of 2-(4-benzhydrylpiperazin-1-yl)ethyl furan-2-carboxylate;dihydrochloride?
2-(4-benzhydrylpiperazin-1-yl)ethyl furan-2-carboxylate;dihydrochloride has a molecular weight of 463.41 g/mol, XLogP of 4.69, 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 furan-2-carboxylate;dihydrochloride is sourced from PubChem (CID 139748867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).