2-methyl-2-phenylmethoxy-1-[(1-thiophen-3-ylpyrrolidin-3-yl)methyl]piperidine

C22H30N2OS — CID 175211306

IUPAC2-methyl-2-phenylmethoxy-1-[(1-thiophen-3-ylpyrrolidin-3-yl)methyl]piperidine
SMILESCC1(OCc2ccccc2)CCCCN1CC1CCN(c2ccsc2)C1
InChIInChI=1S/C22H30N2OS/c1-22(25-17-19-7-3-2-4-8-19)11-5-6-12-24(22)16-20-9-13-23(15-20)21-10-14-26-18-21/h2-4,7-8,10,14,18,20H,5-6,9,11-13,15-17H2,1H3
InChIKeyATRMSGCQEJKBFV-UHFFFAOYSA-N
MW370.56 g/mol
LogP4.99
Rot. Bonds6

About 2-methyl-2-phenylmethoxy-1-[(1-thiophen-3-ylpyrrolidin-3-yl)methyl]piperidine

2-methyl-2-phenylmethoxy-1-[(1-thiophen-3-ylpyrrolidin-3-yl)methyl]piperidine (PubChem CID 175211306) has the molecular formula C22H30N2OS and a molecular weight of 370.56 g/mol. Its IUPAC name is 2-methyl-2-phenylmethoxy-1-[(1-thiophen-3-ylpyrrolidin-3-yl)methyl]piperidine.

Molecular Properties

Compound Name2-methyl-2-phenylmethoxy-1-[(1-thiophen-3-ylpyrrolidin-3-yl)methyl]piperidine
PubChem CID175211306
Molecular FormulaC22H30N2OS
Molecular Weight370.56 g/mol
Exact Mass370.21
IUPAC Name2-methyl-2-phenylmethoxy-1-[(1-thiophen-3-ylpyrrolidin-3-yl)methyl]piperidine
SMILESCC1(OCc2ccccc2)CCCCN1CC1CCN(c2ccsc2)C1
InChIInChI=1S/C22H30N2OS/c1-22(25-17-19-7-3-2-4-8-19)11-5-6-12-24(22)16-20-9-13-23(15-20)21-10-14-26-18-21/h2-4,7-8,10,14,18,20H,5-6,9,11-13,15-17H2,1H3
InChIKeyATRMSGCQEJKBFV-UHFFFAOYSA-N
XLogP4.99
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-2-methyl-2-phenylmethoxypiperidine
CID 175216623
1-[(4-cyclopropylcyclohexyl)methyl]-2-methyl-2-phenylmethoxypiperidine
CID 175205971
2-methyl-2-phenylmethoxy-1-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]piperidine
CID 175211251
1-[(4,4-difluorocyclohexyl)methyl]-2-methyl-2-phenylmethoxypiperidine
CID 175211247
(2R,3R,4R,5S)-2-methyl-3,4,5-tris(phenylmethoxy)-1-[(1-thiophen-3-ylpyrrolidin-3-yl)methyl]piperidine
CID 155286497
N-benzyl-1-thiophen-3-ylpiperidin-3-amine
CID 83993766
2-(bromomethyl)-1-(2-cyclohexylethyl)-2-phenylmethoxypiperidine
CID 175208324
2-phenylmethoxy-2-(phenylmethoxymethyl)-1-(pyrrolidin-3-ylmethyl)piperidine
CID 175407502
1-[(1-phenylpyrrolidin-3-yl)methyl]piperidine
CID 171069499
2-(fluoromethyl)-1-(2-phenylethyl)-2-phenylmethoxypiperidine
CID 175215705
N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylacetamide
CID 70779633
N-methyl-2-phenylmethoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]ethanamine
CID 134696967

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenylmethoxy-1-[(1-thiophen-3-ylpyrrolidin-3-yl)methyl]piperidine?
The IUPAC name of 2-methyl-2-phenylmethoxy-1-[(1-thiophen-3-ylpyrrolidin-3-yl)methyl]piperidine (CID 175211306) is 2-methyl-2-phenylmethoxy-1-[(1-thiophen-3-ylpyrrolidin-3-yl)methyl]piperidine.
What is the SMILES notation for 2-methyl-2-phenylmethoxy-1-[(1-thiophen-3-ylpyrrolidin-3-yl)methyl]piperidine?
The canonical SMILES for 2-methyl-2-phenylmethoxy-1-[(1-thiophen-3-ylpyrrolidin-3-yl)methyl]piperidine is CC1(OCc2ccccc2)CCCCN1CC1CCN(c2ccsc2)C1.
What is the InChIKey of 2-methyl-2-phenylmethoxy-1-[(1-thiophen-3-ylpyrrolidin-3-yl)methyl]piperidine?
The InChIKey is ATRMSGCQEJKBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2OS/c1-22(25-17-19-7-3-2-4-8-19)11-5-6-12-24(22)16-20-9-13-23(15-20)21-10-14-26-18-21/h2-4,7-8,10,14,18,20H,5-6,9,11-13,15-17H2,1H3.
What are the key properties of 2-methyl-2-phenylmethoxy-1-[(1-thiophen-3-ylpyrrolidin-3-yl)methyl]piperidine?
2-methyl-2-phenylmethoxy-1-[(1-thiophen-3-ylpyrrolidin-3-yl)methyl]piperidine has a molecular weight of 370.56 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenylmethoxy-1-[(1-thiophen-3-ylpyrrolidin-3-yl)methyl]piperidine is sourced from PubChem (CID 175211306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).