ethane;4-methyl-1-[(4-methylsulfanylphenyl)methyl]piperidine

C16H27NS — CID 145130487

IUPACethane;4-methyl-1-[(4-methylsulfanylphenyl)methyl]piperidine
SMILESCC.CSc1ccc(CN2CCC(C)CC2)cc1
InChIInChI=1S/C14H21NS.C2H6/c1-12-7-9-15(10-8-12)11-13-3-5-14(16-2)6-4-13;1-2/h3-6,12H,7-11H2,1-2H3;1-2H3
InChIKeyXYJIQPFPUXPWIL-UHFFFAOYSA-N
MW265.47 g/mol
LogP4.67
Rot. Bonds3

About ethane;4-methyl-1-[(4-methylsulfanylphenyl)methyl]piperidine

ethane;4-methyl-1-[(4-methylsulfanylphenyl)methyl]piperidine (PubChem CID 145130487) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is ethane;4-methyl-1-[(4-methylsulfanylphenyl)methyl]piperidine.

Molecular Properties

Compound Nameethane;4-methyl-1-[(4-methylsulfanylphenyl)methyl]piperidine
PubChem CID145130487
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC Nameethane;4-methyl-1-[(4-methylsulfanylphenyl)methyl]piperidine
SMILESCC.CSc1ccc(CN2CCC(C)CC2)cc1
InChIInChI=1S/C14H21NS.C2H6/c1-12-7-9-15(10-8-12)11-13-3-5-14(16-2)6-4-13;1-2/h3-6,12H,7-11H2,1-2H3;1-2H3
InChIKeyXYJIQPFPUXPWIL-UHFFFAOYSA-N
XLogP4.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine
CID 53443850
2,6-dimethyl-4-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]morpholine
CID 2910746
N-methyl-4-[(4-methylpiperidin-1-yl)methyl]aniline
CID 83960897
1-[(4-ethenylphenyl)methyl]-4-methylpiperidine
CID 89299852
1-[(3,4-dichlorophenyl)methyl]-4-methylpiperidine
CID 22197662
4-[(4-methylpiperidin-1-yl)methyl]benzenesulfonic acid
CID 94830309
1-(1-benzylpiperidin-4-yl)-4-[(4-methylsulfanylphenyl)methyl]piperazine;oxalic acid
CID 90483967
1-ethylsulfonyl-4-[(4-methylsulfanylphenyl)methyl]piperazine
CID 719602
2-amino-N-[[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 18426261
1-[(4-ethylphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine;oxalic acid
CID 2901181
1-[(4-methylsulfanylphenyl)methyl]-1,4-diazepane;hydrochloride
CID 119906325
2,6-dimethyl-4-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]sulfonylmorpholine
CID 46405709

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-1-[(4-methylsulfanylphenyl)methyl]piperidine?
The IUPAC name of ethane;4-methyl-1-[(4-methylsulfanylphenyl)methyl]piperidine (CID 145130487) is ethane;4-methyl-1-[(4-methylsulfanylphenyl)methyl]piperidine.
What is the SMILES notation for ethane;4-methyl-1-[(4-methylsulfanylphenyl)methyl]piperidine?
The canonical SMILES for ethane;4-methyl-1-[(4-methylsulfanylphenyl)methyl]piperidine is CC.CSc1ccc(CN2CCC(C)CC2)cc1.
What is the InChIKey of ethane;4-methyl-1-[(4-methylsulfanylphenyl)methyl]piperidine?
The InChIKey is XYJIQPFPUXPWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS.C2H6/c1-12-7-9-15(10-8-12)11-13-3-5-14(16-2)6-4-13;1-2/h3-6,12H,7-11H2,1-2H3;1-2H3.
What are the key properties of ethane;4-methyl-1-[(4-methylsulfanylphenyl)methyl]piperidine?
ethane;4-methyl-1-[(4-methylsulfanylphenyl)methyl]piperidine has a molecular weight of 265.47 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-1-[(4-methylsulfanylphenyl)methyl]piperidine is sourced from PubChem (CID 145130487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).