4-benzhydryl-1-[(3-methyl-5-phenylfuran-2-yl)methyl]piperidine;dihydrochloride

C30H33Cl2NO — CID 19430391

IUPAC4-benzhydryl-1-[(3-methyl-5-phenylfuran-2-yl)methyl]piperidine;dihydrochloride
SMILESCc1cc(-c2ccccc2)oc1CN1CCC(C(c2ccccc2)c2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C30H31NO.2ClH/c1-23-21-28(24-11-5-2-6-12-24)32-29(23)22-31-19-17-27(18-20-31)30(25-13-7-3-8-14-25)26-15-9-4-10-16-26;;/h2-16,21,27,30H,17-20,22H2,1H3;2*1H
InChIKeyZGPBVEOALJSFKT-UHFFFAOYSA-N
MW494.51 g/mol
LogP8.14
Rot. Bonds6

About 4-benzhydryl-1-[(3-methyl-5-phenylfuran-2-yl)methyl]piperidine;dihydrochloride

4-benzhydryl-1-[(3-methyl-5-phenylfuran-2-yl)methyl]piperidine;dihydrochloride (PubChem CID 19430391) has the molecular formula C30H33Cl2NO and a molecular weight of 494.51 g/mol. Its IUPAC name is 4-benzhydryl-1-[(3-methyl-5-phenylfuran-2-yl)methyl]piperidine;dihydrochloride.

Molecular Properties

Compound Name4-benzhydryl-1-[(3-methyl-5-phenylfuran-2-yl)methyl]piperidine;dihydrochloride
PubChem CID19430391
Molecular FormulaC30H33Cl2NO
Molecular Weight494.51 g/mol
Exact Mass493.19
IUPAC Name4-benzhydryl-1-[(3-methyl-5-phenylfuran-2-yl)methyl]piperidine;dihydrochloride
SMILESCc1cc(-c2ccccc2)oc1CN1CCC(C(c2ccccc2)c2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C30H31NO.2ClH/c1-23-21-28(24-11-5-2-6-12-24)32-29(23)22-31-19-17-27(18-20-31)30(25-13-7-3-8-14-25)26-15-9-4-10-16-26;;/h2-16,21,27,30H,17-20,22H2,1H3;2*1H
InChIKeyZGPBVEOALJSFKT-UHFFFAOYSA-N
XLogP8.14
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.51
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzhydryl-1-[[3-methyl-5-(4-methylphenyl)furan-2-yl]methyl]piperidine;hydrochloride
CID 70076896
1-benzhydryl-4-[(3-methyl-5-phenylfuran-2-yl)methyl]piperazine
CID 15288241
4-benzhydryl-1-[(3-methyl-5-phenylthiophen-2-yl)methyl]piperidine
CID 15288254
N-[4-[(4-benzhydrylpiperidin-1-yl)methyl]phenyl]acetamide
CID 21424837
1-[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]ethanol
CID 106837511
4-(4-benzhydrylpiperidin-1-yl)butan-1-amine
CID 21192630
4-(4-benzhydrylpiperidin-1-yl)-1-phenylbutan-1-ol
CID 19937449
ethyl 3-(4-benzhydrylpiperidin-1-yl)propanoate;methane
CID 158654311
2-(4-benzhydrylpiperidin-1-yl)-N-propan-2-ylacetamide
CID 59104361
4-[bis(4-fluorophenyl)methyl]-1-[(3-methyl-5-phenylthiophen-2-yl)oxymethyl]piperidine
CID 15288255
2-(4-benzhydrylpiperazin-1-yl)-1-(3-methyl-5-phenylfuran-2-yl)ethanol
CID 15288259
2-(3-benzhydrylpyrrolidin-1-yl)ethanamine
CID 131855350

Frequently Asked Questions

What is the IUPAC name of 4-benzhydryl-1-[(3-methyl-5-phenylfuran-2-yl)methyl]piperidine;dihydrochloride?
The IUPAC name of 4-benzhydryl-1-[(3-methyl-5-phenylfuran-2-yl)methyl]piperidine;dihydrochloride (CID 19430391) is 4-benzhydryl-1-[(3-methyl-5-phenylfuran-2-yl)methyl]piperidine;dihydrochloride.
What is the SMILES notation for 4-benzhydryl-1-[(3-methyl-5-phenylfuran-2-yl)methyl]piperidine;dihydrochloride?
The canonical SMILES for 4-benzhydryl-1-[(3-methyl-5-phenylfuran-2-yl)methyl]piperidine;dihydrochloride is Cc1cc(-c2ccccc2)oc1CN1CCC(C(c2ccccc2)c2ccccc2)CC1.Cl.Cl.
What is the InChIKey of 4-benzhydryl-1-[(3-methyl-5-phenylfuran-2-yl)methyl]piperidine;dihydrochloride?
The InChIKey is ZGPBVEOALJSFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31NO.2ClH/c1-23-21-28(24-11-5-2-6-12-24)32-29(23)22-31-19-17-27(18-20-31)30(25-13-7-3-8-14-25)26-15-9-4-10-16-26;;/h2-16,21,27,30H,17-20,22H2,1H3;2*1H.
What are the key properties of 4-benzhydryl-1-[(3-methyl-5-phenylfuran-2-yl)methyl]piperidine;dihydrochloride?
4-benzhydryl-1-[(3-methyl-5-phenylfuran-2-yl)methyl]piperidine;dihydrochloride has a molecular weight of 494.51 g/mol, XLogP of 8.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydryl-1-[(3-methyl-5-phenylfuran-2-yl)methyl]piperidine;dihydrochloride is sourced from PubChem (CID 19430391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).