1-[(1-benzylpyrrolidin-3-yl)methyl]-4-phenylpiperidine;thiophene

C27H34N2S — CID 142015532

IUPAC1-[(1-benzylpyrrolidin-3-yl)methyl]-4-phenylpiperidine;thiophene
SMILESc1ccc(CN2CCC(CN3CCC(c4ccccc4)CC3)C2)cc1.c1ccsc1
InChIInChI=1S/C23H30N2.C4H4S/c1-3-7-20(8-4-1)17-25-14-11-21(19-25)18-24-15-12-23(13-16-24)22-9-5-2-6-10-22;1-2-4-5-3-1/h1-10,21,23H,11-19H2;1-4H
InChIKeyJAMVTQLRNPMSKZ-UHFFFAOYSA-N
MW418.65 g/mol
LogP6.14
Rot. Bonds5

About 1-[(1-benzylpyrrolidin-3-yl)methyl]-4-phenylpiperidine;thiophene

1-[(1-benzylpyrrolidin-3-yl)methyl]-4-phenylpiperidine;thiophene (PubChem CID 142015532) has the molecular formula C27H34N2S and a molecular weight of 418.65 g/mol. Its IUPAC name is 1-[(1-benzylpyrrolidin-3-yl)methyl]-4-phenylpiperidine;thiophene.

Molecular Properties

Compound Name1-[(1-benzylpyrrolidin-3-yl)methyl]-4-phenylpiperidine;thiophene
PubChem CID142015532
Molecular FormulaC27H34N2S
Molecular Weight418.65 g/mol
Exact Mass418.24
IUPAC Name1-[(1-benzylpyrrolidin-3-yl)methyl]-4-phenylpiperidine;thiophene
SMILESc1ccc(CN2CCC(CN3CCC(c4ccccc4)CC3)C2)cc1.c1ccsc1
InChIInChI=1S/C23H30N2.C4H4S/c1-3-7-20(8-4-1)17-25-14-11-21(19-25)18-24-15-12-23(13-16-24)22-9-5-2-6-10-22;1-2-4-5-3-1/h1-10,21,23H,11-19H2;1-4H
InChIKeyJAMVTQLRNPMSKZ-UHFFFAOYSA-N
XLogP6.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.65
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 71930473
phenyl-[3-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone;thiophene
CID 142015550
1-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-4-(4-fluorophenyl)piperidine;ethyl formate
CID 142014928
1-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-4-phenylpiperidine
CID 22116082
(3R)-1-benzyl-3-(bromomethyl)pyrrolidine
CID 96555493
1-benzyl-3-ethylpyrrolidine
CID 12648208
1-[(4-fluorophenyl)methyl]-3-phenylpyrrolidine
CID 60603464
4-(1-benzylpyrrolidin-3-yl)pyridine
CID 11085844
(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
CID 75485238
1-benzyl-N-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-3-amine
CID 11661832
1-benzyl-3-propylpyrrolidine
CID 12648211
1-[[(3R)-1-benzyl-4-thiophen-3-ylpyrrolidin-3-yl]methyl]-4-(4-fluorophenyl)piperidine
CID 142015423

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylpyrrolidin-3-yl)methyl]-4-phenylpiperidine;thiophene?
The IUPAC name of 1-[(1-benzylpyrrolidin-3-yl)methyl]-4-phenylpiperidine;thiophene (CID 142015532) is 1-[(1-benzylpyrrolidin-3-yl)methyl]-4-phenylpiperidine;thiophene.
What is the SMILES notation for 1-[(1-benzylpyrrolidin-3-yl)methyl]-4-phenylpiperidine;thiophene?
The canonical SMILES for 1-[(1-benzylpyrrolidin-3-yl)methyl]-4-phenylpiperidine;thiophene is c1ccc(CN2CCC(CN3CCC(c4ccccc4)CC3)C2)cc1.c1ccsc1.
What is the InChIKey of 1-[(1-benzylpyrrolidin-3-yl)methyl]-4-phenylpiperidine;thiophene?
The InChIKey is JAMVTQLRNPMSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2.C4H4S/c1-3-7-20(8-4-1)17-25-14-11-21(19-25)18-24-15-12-23(13-16-24)22-9-5-2-6-10-22;1-2-4-5-3-1/h1-10,21,23H,11-19H2;1-4H.
What are the key properties of 1-[(1-benzylpyrrolidin-3-yl)methyl]-4-phenylpiperidine;thiophene?
1-[(1-benzylpyrrolidin-3-yl)methyl]-4-phenylpiperidine;thiophene has a molecular weight of 418.65 g/mol, XLogP of 6.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzylpyrrolidin-3-yl)methyl]-4-phenylpiperidine;thiophene is sourced from PubChem (CID 142015532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).