1-benzhydryl-4-[(3-methyl-5-phenylfuran-2-yl)methyl]piperazine

C29H30N2O — CID 15288241

IUPAC1-benzhydryl-4-[(3-methyl-5-phenylfuran-2-yl)methyl]piperazine
SMILESCc1cc(-c2ccccc2)oc1CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C29H30N2O/c1-23-21-27(24-11-5-2-6-12-24)32-28(23)22-30-17-19-31(20-18-30)29(25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-16,21,29H,17-20,22H2,1H3
InChIKeySWIIAYSYWDKMJA-UHFFFAOYSA-N
MW422.57 g/mol
LogP6.16
Rot. Bonds6

About 1-benzhydryl-4-[(3-methyl-5-phenylfuran-2-yl)methyl]piperazine

1-benzhydryl-4-[(3-methyl-5-phenylfuran-2-yl)methyl]piperazine (PubChem CID 15288241) has the molecular formula C29H30N2O and a molecular weight of 422.57 g/mol. Its IUPAC name is 1-benzhydryl-4-[(3-methyl-5-phenylfuran-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-benzhydryl-4-[(3-methyl-5-phenylfuran-2-yl)methyl]piperazine
PubChem CID15288241
Molecular FormulaC29H30N2O
Molecular Weight422.57 g/mol
Exact Mass422.24
IUPAC Name1-benzhydryl-4-[(3-methyl-5-phenylfuran-2-yl)methyl]piperazine
SMILESCc1cc(-c2ccccc2)oc1CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C29H30N2O/c1-23-21-27(24-11-5-2-6-12-24)32-28(23)22-30-17-19-31(20-18-30)29(25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-16,21,29H,17-20,22H2,1H3
InChIKeySWIIAYSYWDKMJA-UHFFFAOYSA-N
XLogP6.16
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.57
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzhydrylpiperazin-1-yl)-1-(3-methyl-5-phenylfuran-2-yl)ethanol
CID 15288259
4-benzhydryl-1-[(3-methyl-5-phenylfuran-2-yl)methyl]piperidine;dihydrochloride
CID 19430391
4-benzhydryl-1-[[3-methyl-5-(4-methylphenyl)furan-2-yl]methyl]piperidine;hydrochloride
CID 70076896
1-benzhydryl-4-ethylpiperazine;ethane
CID 156743025
4-[(4-benzhydrylpiperazin-1-yl)methyl]-7,8-dimethylchromen-2-one
CID 2450878
1-benzhydryl-4-butylpiperazine
CID 13416419
1-benzhydryl-4-[[(2R)-oxiran-2-yl]methyl]piperazine
CID 34180767
1-benzhydryl-4-methylpiperazine
CID 6726
1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine
CID 71411855
4-(4-benzhydrylpiperazin-1-yl)butan-2-amine
CID 71433044
4-[(4-benzhydrylpiperazin-1-yl)methyl]-6-ethylchromen-2-one
CID 3448856
2-[(4-benzhydrylpiperazin-1-yl)methyl]-N-methyl-4-[4-(methylamino)phenyl]aniline
CID 57145598

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-[(3-methyl-5-phenylfuran-2-yl)methyl]piperazine?
The IUPAC name of 1-benzhydryl-4-[(3-methyl-5-phenylfuran-2-yl)methyl]piperazine (CID 15288241) is 1-benzhydryl-4-[(3-methyl-5-phenylfuran-2-yl)methyl]piperazine.
What is the SMILES notation for 1-benzhydryl-4-[(3-methyl-5-phenylfuran-2-yl)methyl]piperazine?
The canonical SMILES for 1-benzhydryl-4-[(3-methyl-5-phenylfuran-2-yl)methyl]piperazine is Cc1cc(-c2ccccc2)oc1CN1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-benzhydryl-4-[(3-methyl-5-phenylfuran-2-yl)methyl]piperazine?
The InChIKey is SWIIAYSYWDKMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O/c1-23-21-27(24-11-5-2-6-12-24)32-28(23)22-30-17-19-31(20-18-30)29(25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-16,21,29H,17-20,22H2,1H3.
What are the key properties of 1-benzhydryl-4-[(3-methyl-5-phenylfuran-2-yl)methyl]piperazine?
1-benzhydryl-4-[(3-methyl-5-phenylfuran-2-yl)methyl]piperazine has a molecular weight of 422.57 g/mol, XLogP of 6.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-[(3-methyl-5-phenylfuran-2-yl)methyl]piperazine is sourced from PubChem (CID 15288241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).