1-[2-(4-methylthiophen-2-yl)phenyl]piperidine

C16H19NS — CID 21223971

IUPAC1-[2-(4-methylthiophen-2-yl)phenyl]piperidine
SMILESCc1csc(-c2ccccc2N2CCCCC2)c1
InChIInChI=1S/C16H19NS/c1-13-11-16(18-12-13)14-7-3-4-8-15(14)17-9-5-2-6-10-17/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3
InChIKeyGUGAIQUZABPAEB-UHFFFAOYSA-N
MW257.40 g/mol
LogP4.71
Rot. Bonds2

About 1-[2-(4-methylthiophen-2-yl)phenyl]piperidine

1-[2-(4-methylthiophen-2-yl)phenyl]piperidine (PubChem CID 21223971) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is 1-[2-(4-methylthiophen-2-yl)phenyl]piperidine.

Molecular Properties

Compound Name1-[2-(4-methylthiophen-2-yl)phenyl]piperidine
PubChem CID21223971
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC Name1-[2-(4-methylthiophen-2-yl)phenyl]piperidine
SMILESCc1csc(-c2ccccc2N2CCCCC2)c1
InChIInChI=1S/C16H19NS/c1-13-11-16(18-12-13)14-7-3-4-8-15(14)17-9-5-2-6-10-17/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3
InChIKeyGUGAIQUZABPAEB-UHFFFAOYSA-N
XLogP4.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-methylphenyl)phenyl]pyrrolidine
CID 168513578
1-(4-methyl-2-phenylphenyl)piperidine
CID 57106520
(2-piperidin-1-ylphenyl)boronic acid
CID 4192666
5-ethyl-3-methyl-6-(2-piperidin-1-ylphenyl)-1H-pyridin-2-one
CID 144545542
2-[2-(4-methylthiophen-2-yl)phenyl]benzenesulfonamide
CID 23217423
4,5-dimethyl-2-(2-pyrrolidin-1-ylphenyl)-1,3-oxazole
CID 168514490
40,41-dimethyl-1,20-diazatricyclo[18.18.4.239,42]tetratetraconta-39,41,43-triene
CID 177473830
6-methyl-2-oxo-4-(2-piperidin-1-ylphenyl)-1H-pyridine-3-carbonitrile
CID 168585718
3-(2-piperidin-1-ylphenyl)-1,2-oxazol-5-amine
CID 117360434
1-[2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]phenyl]piperidine
CID 126576575
1-(2-methylphenyl)azetidine;hydrochloride
CID 176582976
4-[2-(2-methylphenyl)phenyl]morpholine
CID 173334171

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylthiophen-2-yl)phenyl]piperidine?
The IUPAC name of 1-[2-(4-methylthiophen-2-yl)phenyl]piperidine (CID 21223971) is 1-[2-(4-methylthiophen-2-yl)phenyl]piperidine.
What is the SMILES notation for 1-[2-(4-methylthiophen-2-yl)phenyl]piperidine?
The canonical SMILES for 1-[2-(4-methylthiophen-2-yl)phenyl]piperidine is Cc1csc(-c2ccccc2N2CCCCC2)c1.
What is the InChIKey of 1-[2-(4-methylthiophen-2-yl)phenyl]piperidine?
The InChIKey is GUGAIQUZABPAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c1-13-11-16(18-12-13)14-7-3-4-8-15(14)17-9-5-2-6-10-17/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3.
What are the key properties of 1-[2-(4-methylthiophen-2-yl)phenyl]piperidine?
1-[2-(4-methylthiophen-2-yl)phenyl]piperidine has a molecular weight of 257.40 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylthiophen-2-yl)phenyl]piperidine is sourced from PubChem (CID 21223971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).