1-[2-[(4-chlorophenyl)methyl]-5-(4-methylphenyl)thiophen-3-yl]piperidine

C23H24ClNS — CID 23624619

IUPAC1-[2-[(4-chlorophenyl)methyl]-5-(4-methylphenyl)thiophen-3-yl]piperidine
SMILESCc1ccc(-c2cc(N3CCCCC3)c(Cc3ccc(Cl)cc3)s2)cc1
InChIInChI=1S/C23H24ClNS/c1-17-5-9-19(10-6-17)22-16-21(25-13-3-2-4-14-25)23(26-22)15-18-7-11-20(24)12-8-18/h5-12,16H,2-4,13-15H2,1H3
InChIKeyDNFIDBRARIPCND-UHFFFAOYSA-N
MW381.97 g/mol
LogP6.96
Rot. Bonds4

About 1-[2-[(4-chlorophenyl)methyl]-5-(4-methylphenyl)thiophen-3-yl]piperidine

1-[2-[(4-chlorophenyl)methyl]-5-(4-methylphenyl)thiophen-3-yl]piperidine (PubChem CID 23624619) has the molecular formula C23H24ClNS and a molecular weight of 381.97 g/mol. Its IUPAC name is 1-[2-[(4-chlorophenyl)methyl]-5-(4-methylphenyl)thiophen-3-yl]piperidine.

Molecular Properties

Compound Name1-[2-[(4-chlorophenyl)methyl]-5-(4-methylphenyl)thiophen-3-yl]piperidine
PubChem CID23624619
Molecular FormulaC23H24ClNS
Molecular Weight381.97 g/mol
Exact Mass381.13
IUPAC Name1-[2-[(4-chlorophenyl)methyl]-5-(4-methylphenyl)thiophen-3-yl]piperidine
SMILESCc1ccc(-c2cc(N3CCCCC3)c(Cc3ccc(Cl)cc3)s2)cc1
InChIInChI=1S/C23H24ClNS/c1-17-5-9-19(10-6-17)22-16-21(25-13-3-2-4-14-25)23(26-22)15-18-7-11-20(24)12-8-18/h5-12,16H,2-4,13-15H2,1H3
InChIKeyDNFIDBRARIPCND-UHFFFAOYSA-N
XLogP6.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.97
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chlorophenyl)methyl]-5-(4-methylphenyl)thiophen-3-yl]piperidine?
The IUPAC name of 1-[2-[(4-chlorophenyl)methyl]-5-(4-methylphenyl)thiophen-3-yl]piperidine (CID 23624619) is 1-[2-[(4-chlorophenyl)methyl]-5-(4-methylphenyl)thiophen-3-yl]piperidine.
What is the SMILES notation for 1-[2-[(4-chlorophenyl)methyl]-5-(4-methylphenyl)thiophen-3-yl]piperidine?
The canonical SMILES for 1-[2-[(4-chlorophenyl)methyl]-5-(4-methylphenyl)thiophen-3-yl]piperidine is Cc1ccc(-c2cc(N3CCCCC3)c(Cc3ccc(Cl)cc3)s2)cc1.
What is the InChIKey of 1-[2-[(4-chlorophenyl)methyl]-5-(4-methylphenyl)thiophen-3-yl]piperidine?
The InChIKey is DNFIDBRARIPCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClNS/c1-17-5-9-19(10-6-17)22-16-21(25-13-3-2-4-14-25)23(26-22)15-18-7-11-20(24)12-8-18/h5-12,16H,2-4,13-15H2,1H3.
What are the key properties of 1-[2-[(4-chlorophenyl)methyl]-5-(4-methylphenyl)thiophen-3-yl]piperidine?
1-[2-[(4-chlorophenyl)methyl]-5-(4-methylphenyl)thiophen-3-yl]piperidine has a molecular weight of 381.97 g/mol, XLogP of 6.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chlorophenyl)methyl]-5-(4-methylphenyl)thiophen-3-yl]piperidine is sourced from PubChem (CID 23624619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).