(2R)-1-benzyl-2-thiophen-3-ylpiperidine

C16H19NS — CID 124500980

IUPAC(2R)-1-benzyl-2-thiophen-3-ylpiperidine
SMILESc1ccc(CN2CCCC[C@@H]2c2ccsc2)cc1
InChIInChI=1S/C16H19NS/c1-2-6-14(7-3-1)12-17-10-5-4-8-16(17)15-9-11-18-13-15/h1-3,6-7,9,11,13,16H,4-5,8,10,12H2/t16-/m1/s1
InChIKeyCYOUWRXQLIHQAZ-MRXNPFEDSA-N
MW257.40 g/mol
LogP4.48
Rot. Bonds3

About (2R)-1-benzyl-2-thiophen-3-ylpiperidine

(2R)-1-benzyl-2-thiophen-3-ylpiperidine (PubChem CID 124500980) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is (2R)-1-benzyl-2-thiophen-3-ylpiperidine.

Molecular Properties

Compound Name(2R)-1-benzyl-2-thiophen-3-ylpiperidine
PubChem CID124500980
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC Name(2R)-1-benzyl-2-thiophen-3-ylpiperidine
SMILESc1ccc(CN2CCCC[C@@H]2c2ccsc2)cc1
InChIInChI=1S/C16H19NS/c1-2-6-14(7-3-1)12-17-10-5-4-8-16(17)15-9-11-18-13-15/h1-3,6-7,9,11,13,16H,4-5,8,10,12H2/t16-/m1/s1
InChIKeyCYOUWRXQLIHQAZ-MRXNPFEDSA-N
XLogP4.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-4-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]benzamide
CID 55703679
1-[3-(2-phenylethoxy)propyl]-2-thiophen-3-ylpyrrolidine
CID 51119626
(2R)-1-(cyclohexylmethyl)-2-thiophen-3-ylpyrrolidine
CID 51946772
2-[[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methyl]quinazolin-4-amine
CID 94032734
5-(1-benzylpiperidin-2-yl)-2-piperidin-1-ylpyridine
CID 102541519
4-(1-benzylpyrrolidin-2-yl)benzonitrile
CID 164673724
3-(2-thiophen-3-ylpyrrolidin-1-yl)propanoic acid
CID 119134694
1-benzyl-2-fluoropiperidine
CID 54431864
(2R)-1-benzylpiperidin-2-amine
CID 97050484
1-benzyl-2-(2-chloroethyl)piperidine
CID 18473722
5-(1-benzylpiperidin-2-yl)-3-methyl-1H-pyridine-2-thione
CID 102542680
4-[(2S)-1-benzylpiperidin-2-yl]-2-methylpyrimidine
CID 95839904

Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzyl-2-thiophen-3-ylpiperidine?
The IUPAC name of (2R)-1-benzyl-2-thiophen-3-ylpiperidine (CID 124500980) is (2R)-1-benzyl-2-thiophen-3-ylpiperidine.
What is the SMILES notation for (2R)-1-benzyl-2-thiophen-3-ylpiperidine?
The canonical SMILES for (2R)-1-benzyl-2-thiophen-3-ylpiperidine is c1ccc(CN2CCCC[C@@H]2c2ccsc2)cc1.
What is the InChIKey of (2R)-1-benzyl-2-thiophen-3-ylpiperidine?
The InChIKey is CYOUWRXQLIHQAZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H19NS/c1-2-6-14(7-3-1)12-17-10-5-4-8-16(17)15-9-11-18-13-15/h1-3,6-7,9,11,13,16H,4-5,8,10,12H2/t16-/m1/s1.
What are the key properties of (2R)-1-benzyl-2-thiophen-3-ylpiperidine?
(2R)-1-benzyl-2-thiophen-3-ylpiperidine has a molecular weight of 257.40 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzyl-2-thiophen-3-ylpiperidine is sourced from PubChem (CID 124500980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).