2-methyl-6-[3-[(2-methylthiolan-2-yl)methyl]imidazol-4-yl]piperidine

C15H25N3S — CID 114721451

IUPAC2-methyl-6-[3-[(2-methylthiolan-2-yl)methyl]imidazol-4-yl]piperidine
SMILESCC1CCCC(c2cncn2CC2(C)CCCS2)N1
InChIInChI=1S/C15H25N3S/c1-12-5-3-6-13(17-12)14-9-16-11-18(14)10-15(2)7-4-8-19-15/h9,11-13,17H,3-8,10H2,1-2H3
InChIKeyUFDBTQSXVWBPGU-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.37
Rot. Bonds3

About 2-methyl-6-[3-[(2-methylthiolan-2-yl)methyl]imidazol-4-yl]piperidine

2-methyl-6-[3-[(2-methylthiolan-2-yl)methyl]imidazol-4-yl]piperidine (PubChem CID 114721451) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is 2-methyl-6-[3-[(2-methylthiolan-2-yl)methyl]imidazol-4-yl]piperidine.

Molecular Properties

Compound Name2-methyl-6-[3-[(2-methylthiolan-2-yl)methyl]imidazol-4-yl]piperidine
PubChem CID114721451
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name2-methyl-6-[3-[(2-methylthiolan-2-yl)methyl]imidazol-4-yl]piperidine
SMILESCC1CCCC(c2cncn2CC2(C)CCCS2)N1
InChIInChI=1S/C15H25N3S/c1-12-5-3-6-13(17-12)14-9-16-11-18(14)10-15(2)7-4-8-19-15/h9,11-13,17H,3-8,10H2,1-2H3
InChIKeyUFDBTQSXVWBPGU-UHFFFAOYSA-N
XLogP3.37
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2,2-difluoroethyl)imidazol-4-yl]-6-methylpiperidine
CID 114721475
2-methyl-6-[3-(oxan-4-ylmethyl)imidazol-4-yl]piperidine
CID 114720357
1,4-dimethyl-2-[[5-(6-methylpiperidin-2-yl)imidazol-1-yl]methyl]piperazine
CID 114720756
2-methyl-6-[3-(3-methylbutyl)imidazol-4-yl]piperidine
CID 114716386
N,N-dimethyl-2-[5-(6-methylpiperidin-2-yl)imidazol-1-yl]acetamide
CID 114715959
2-methyl-6-[3-(oxolan-3-ylmethyl)imidazol-4-yl]piperidine
CID 114719966
2-methyl-6-[3-[2-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine
CID 114721154
2-[3-(2,2-dimethylcyclohexyl)imidazol-4-yl]-6-methylpiperidine
CID 114721223
2-methyl-6-[3-(4-methyloxan-4-yl)imidazol-4-yl]piperidine
CID 114722066
2-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]-6-methylpiperidine
CID 114716493
2-methyl-6-[3-(3-phenylpropyl)imidazol-4-yl]piperidine
CID 114718231
2-[3-[2-(5-bromothiophen-2-yl)ethyl]imidazol-4-yl]-6-methylpiperidine
CID 106041251

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[3-[(2-methylthiolan-2-yl)methyl]imidazol-4-yl]piperidine?
The IUPAC name of 2-methyl-6-[3-[(2-methylthiolan-2-yl)methyl]imidazol-4-yl]piperidine (CID 114721451) is 2-methyl-6-[3-[(2-methylthiolan-2-yl)methyl]imidazol-4-yl]piperidine.
What is the SMILES notation for 2-methyl-6-[3-[(2-methylthiolan-2-yl)methyl]imidazol-4-yl]piperidine?
The canonical SMILES for 2-methyl-6-[3-[(2-methylthiolan-2-yl)methyl]imidazol-4-yl]piperidine is CC1CCCC(c2cncn2CC2(C)CCCS2)N1.
What is the InChIKey of 2-methyl-6-[3-[(2-methylthiolan-2-yl)methyl]imidazol-4-yl]piperidine?
The InChIKey is UFDBTQSXVWBPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-12-5-3-6-13(17-12)14-9-16-11-18(14)10-15(2)7-4-8-19-15/h9,11-13,17H,3-8,10H2,1-2H3.
What are the key properties of 2-methyl-6-[3-[(2-methylthiolan-2-yl)methyl]imidazol-4-yl]piperidine?
2-methyl-6-[3-[(2-methylthiolan-2-yl)methyl]imidazol-4-yl]piperidine has a molecular weight of 279.45 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[3-[(2-methylthiolan-2-yl)methyl]imidazol-4-yl]piperidine is sourced from PubChem (CID 114721451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).