N-benzhydryl-3-[4-(furan-3-ylmethyl)piperazin-1-yl]aniline

C28H29N3O — CID 134588844

IUPACN-benzhydryl-3-[4-(furan-3-ylmethyl)piperazin-1-yl]aniline
SMILESc1ccc(C(Nc2cccc(N3CCN(Cc4ccoc4)CC3)c2)c2ccccc2)cc1
InChIInChI=1S/C28H29N3O/c1-3-8-24(9-4-1)28(25-10-5-2-6-11-25)29-26-12-7-13-27(20-26)31-17-15-30(16-18-31)21-23-14-19-32-22-23/h1-14,19-20,22,28-29H,15-18,21H2
InChIKeyKLTUCNQHEUBWOT-UHFFFAOYSA-N
MW423.56 g/mol
LogP5.80
Rot. Bonds7

About N-benzhydryl-3-[4-(furan-3-ylmethyl)piperazin-1-yl]aniline

N-benzhydryl-3-[4-(furan-3-ylmethyl)piperazin-1-yl]aniline (PubChem CID 134588844) has the molecular formula C28H29N3O and a molecular weight of 423.56 g/mol. Its IUPAC name is N-benzhydryl-3-[4-(furan-3-ylmethyl)piperazin-1-yl]aniline.

Molecular Properties

Compound NameN-benzhydryl-3-[4-(furan-3-ylmethyl)piperazin-1-yl]aniline
PubChem CID134588844
Molecular FormulaC28H29N3O
Molecular Weight423.56 g/mol
Exact Mass423.23
IUPAC NameN-benzhydryl-3-[4-(furan-3-ylmethyl)piperazin-1-yl]aniline
SMILESc1ccc(C(Nc2cccc(N3CCN(Cc4ccoc4)CC3)c2)c2ccccc2)cc1
InChIInChI=1S/C28H29N3O/c1-3-8-24(9-4-1)28(25-10-5-2-6-11-25)29-26-12-7-13-27(20-26)31-17-15-30(16-18-31)21-23-14-19-32-22-23/h1-14,19-20,22,28-29H,15-18,21H2
InChIKeyKLTUCNQHEUBWOT-UHFFFAOYSA-N
XLogP5.80
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzhydryl-4-[4-(furan-3-ylmethyl)piperazin-1-yl]pyridin-2-amine
CID 134588905
2-[4-[3-(benzhydrylamino)phenyl]piperazin-1-yl]ethanol
CID 134588732
N-benzhydryl-3-[4-(1-fluoroethyl)piperazin-1-yl]aniline
CID 134588702
3-N-benzhydrylbenzene-1,3-diamine
CID 43344281
3-(4-benzylpiperazin-1-yl)-N,N-dimethylaniline
CID 110454866
N-benzhydryl-2-nitro-4-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]aniline
CID 134589052
3-amino-4-[3-(4-benzylpiperazin-1-yl)anilino]benzoic acid
CID 150508917
2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]anilino]-2-phenyl-N-propan-2-ylacetamide
CID 47487849
N-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 42857358
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzoic acid
CID 751483
N-[(R)-phenyl(pyridin-4-yl)methyl]-3-(1,2,4-triazol-4-ylmethyl)aniline
CID 99777050
N-pentan-3-yl-3-pyrrolidin-1-ylaniline
CID 54864371

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-3-[4-(furan-3-ylmethyl)piperazin-1-yl]aniline?
The IUPAC name of N-benzhydryl-3-[4-(furan-3-ylmethyl)piperazin-1-yl]aniline (CID 134588844) is N-benzhydryl-3-[4-(furan-3-ylmethyl)piperazin-1-yl]aniline.
What is the SMILES notation for N-benzhydryl-3-[4-(furan-3-ylmethyl)piperazin-1-yl]aniline?
The canonical SMILES for N-benzhydryl-3-[4-(furan-3-ylmethyl)piperazin-1-yl]aniline is c1ccc(C(Nc2cccc(N3CCN(Cc4ccoc4)CC3)c2)c2ccccc2)cc1.
What is the InChIKey of N-benzhydryl-3-[4-(furan-3-ylmethyl)piperazin-1-yl]aniline?
The InChIKey is KLTUCNQHEUBWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O/c1-3-8-24(9-4-1)28(25-10-5-2-6-11-25)29-26-12-7-13-27(20-26)31-17-15-30(16-18-31)21-23-14-19-32-22-23/h1-14,19-20,22,28-29H,15-18,21H2.
What are the key properties of N-benzhydryl-3-[4-(furan-3-ylmethyl)piperazin-1-yl]aniline?
N-benzhydryl-3-[4-(furan-3-ylmethyl)piperazin-1-yl]aniline has a molecular weight of 423.56 g/mol, XLogP of 5.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3-[4-(furan-3-ylmethyl)piperazin-1-yl]aniline is sourced from PubChem (CID 134588844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).