4-benzhydryl-1-[(3-methyl-5-phenylthiophen-2-yl)methyl]piperidine

C30H31NS — CID 15288254

IUPAC4-benzhydryl-1-[(3-methyl-5-phenylthiophen-2-yl)methyl]piperidine
SMILESCc1cc(-c2ccccc2)sc1CN1CCC(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C30H31NS/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
InChIKeyQVRBYFRHZFFFCN-UHFFFAOYSA-N
MW437.65 g/mol
LogP7.77
Rot. Bonds6

About 4-benzhydryl-1-[(3-methyl-5-phenylthiophen-2-yl)methyl]piperidine

4-benzhydryl-1-[(3-methyl-5-phenylthiophen-2-yl)methyl]piperidine (PubChem CID 15288254) has the molecular formula C30H31NS and a molecular weight of 437.65 g/mol. Its IUPAC name is 4-benzhydryl-1-[(3-methyl-5-phenylthiophen-2-yl)methyl]piperidine.

Molecular Properties

Compound Name4-benzhydryl-1-[(3-methyl-5-phenylthiophen-2-yl)methyl]piperidine
PubChem CID15288254
Molecular FormulaC30H31NS
Molecular Weight437.65 g/mol
Exact Mass437.22
IUPAC Name4-benzhydryl-1-[(3-methyl-5-phenylthiophen-2-yl)methyl]piperidine
SMILESCc1cc(-c2ccccc2)sc1CN1CCC(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C30H31NS/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
InChIKeyQVRBYFRHZFFFCN-UHFFFAOYSA-N
XLogP7.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.65
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[bis(4-fluorophenyl)methyl]-1-[(3-methyl-5-phenylthiophen-2-yl)oxymethyl]piperidine
CID 15288255
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
2-(4-benzhydrylpiperidin-1-yl)-N-propan-2-ylacetamide
CID 59104361
N-[4-[(4-benzhydrylpiperidin-1-yl)methyl]phenyl]acetamide
CID 21424837
4-(4-benzhydrylpiperidin-1-yl)butan-1-amine
CID 21192630
[4-[(1-benzylpiperidin-4-yl)-(3-fluorophenyl)methyl]phenyl]carbamic acid
CID 23435913
ethyl 3-(4-benzhydrylpiperidin-1-yl)propanoate;methane
CID 158654311
4-(4-benzhydrylpiperidin-1-yl)-1-phenylbutan-1-ol
CID 19937449
1-[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]ethanol
CID 106837511
1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine
CID 153136361
2-(3-benzhydrylpyrrolidin-1-yl)ethanamine
CID 131855350

Frequently Asked Questions

What is the IUPAC name of 4-benzhydryl-1-[(3-methyl-5-phenylthiophen-2-yl)methyl]piperidine?
The IUPAC name of 4-benzhydryl-1-[(3-methyl-5-phenylthiophen-2-yl)methyl]piperidine (CID 15288254) is 4-benzhydryl-1-[(3-methyl-5-phenylthiophen-2-yl)methyl]piperidine.
What is the SMILES notation for 4-benzhydryl-1-[(3-methyl-5-phenylthiophen-2-yl)methyl]piperidine?
The canonical SMILES for 4-benzhydryl-1-[(3-methyl-5-phenylthiophen-2-yl)methyl]piperidine is Cc1cc(-c2ccccc2)sc1CN1CCC(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 4-benzhydryl-1-[(3-methyl-5-phenylthiophen-2-yl)methyl]piperidine?
The InChIKey is QVRBYFRHZFFFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31NS/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.
What are the key properties of 4-benzhydryl-1-[(3-methyl-5-phenylthiophen-2-yl)methyl]piperidine?
4-benzhydryl-1-[(3-methyl-5-phenylthiophen-2-yl)methyl]piperidine has a molecular weight of 437.65 g/mol, XLogP of 7.77, 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-phenylthiophen-2-yl)methyl]piperidine is sourced from PubChem (CID 15288254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).