2-phenyl-1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidine

C20H26N2S — CID 135110379

IUPAC2-phenyl-1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidine
SMILESc1ccc(C2CCCN2Cc2cc(CN3CCCC3)cs2)cc1
InChIInChI=1S/C20H26N2S/c1-2-7-18(8-3-1)20-9-6-12-22(20)15-19-13-17(16-23-19)14-21-10-4-5-11-21/h1-3,7-8,13,16,20H,4-6,9-12,14-15H2
InChIKeyVPOTYOHIJPEGPB-UHFFFAOYSA-N
MW326.51 g/mol
LogP4.68
Rot. Bonds5

About 2-phenyl-1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidine

2-phenyl-1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidine (PubChem CID 135110379) has the molecular formula C20H26N2S and a molecular weight of 326.51 g/mol. Its IUPAC name is 2-phenyl-1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidine.

Molecular Properties

Compound Name2-phenyl-1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidine
PubChem CID135110379
Molecular FormulaC20H26N2S
Molecular Weight326.51 g/mol
Exact Mass326.18
IUPAC Name2-phenyl-1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidine
SMILESc1ccc(C2CCCN2Cc2cc(CN3CCCC3)cs2)cc1
InChIInChI=1S/C20H26N2S/c1-2-7-18(8-3-1)20-9-6-12-22(20)15-19-13-17(16-23-19)14-21-10-4-5-11-21/h1-3,7-8,13,16,20H,4-6,9-12,14-15H2
InChIKeyVPOTYOHIJPEGPB-UHFFFAOYSA-N
XLogP4.68
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[5-[[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methyl]thiophen-3-yl]methyl]pyrrolidine
CID 99933692
(2R)-1-methyl-2-phenyl-4-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]piperazine
CID 124752129
1-[(5-chlorothiophen-2-yl)methyl]-2-phenylpyrrolidine
CID 55506302
1-methyl-4-[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]piperidine
CID 56901814
(3R)-4-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine-3-carboxylic acid
CID 91840101
N,N-dimethyl-1-[1-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]ethanamine
CID 70711258
2-chloro-4-[(2-phenylpyrrolidin-1-yl)methyl]phenol
CID 82974669
ethane;1-ethyl-2-phenylpyrrolidine
CID 177062481
1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 131896536
2-ethyl-4-[(2-phenylpyrrolidin-1-yl)methyl]-1,3-thiazole
CID 134050920
1-ethyl-2-phenylazepane
CID 59678181
(2S,4R)-4-amino-N-methyl-1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidine-2-carboxamide
CID 56722804

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidine?
The IUPAC name of 2-phenyl-1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidine (CID 135110379) is 2-phenyl-1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidine.
What is the SMILES notation for 2-phenyl-1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidine?
The canonical SMILES for 2-phenyl-1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidine is c1ccc(C2CCCN2Cc2cc(CN3CCCC3)cs2)cc1.
What is the InChIKey of 2-phenyl-1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidine?
The InChIKey is VPOTYOHIJPEGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2S/c1-2-7-18(8-3-1)20-9-6-12-22(20)15-19-13-17(16-23-19)14-21-10-4-5-11-21/h1-3,7-8,13,16,20H,4-6,9-12,14-15H2.
What are the key properties of 2-phenyl-1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidine?
2-phenyl-1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidine has a molecular weight of 326.51 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidine is sourced from PubChem (CID 135110379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).