1,4-dimethylpiperidine;ethane;methanethiol;3-methylpyrrolidine

C15H36N2S — CID 143539499

IUPAC1,4-dimethylpiperidine;ethane;methanethiol;3-methylpyrrolidine
SMILESCC.CC1CCN(C)CC1.CC1CCNC1.CS
InChIInChI=1S/C7H15N.C5H11N.C2H6.CH4S/c1-7-3-5-8(2)6-4-7;1-5-2-3-6-4-5;2*1-2/h7H,3-6H2,1-2H3;5-6H,2-4H2,1H3;1-2H3;2H,1H3
InChIKeyBGAGTQZUVPOFCT-UHFFFAOYSA-N
MW276.53 g/mol
LogP3.54
Rot. Bonds

About 1,4-dimethylpiperidine;ethane;methanethiol;3-methylpyrrolidine

1,4-dimethylpiperidine;ethane;methanethiol;3-methylpyrrolidine (PubChem CID 143539499) has the molecular formula C15H36N2S and a molecular weight of 276.53 g/mol. Its IUPAC name is 1,4-dimethylpiperidine;ethane;methanethiol;3-methylpyrrolidine.

Molecular Properties

Compound Name1,4-dimethylpiperidine;ethane;methanethiol;3-methylpyrrolidine
PubChem CID143539499
Molecular FormulaC15H36N2S
Molecular Weight276.53 g/mol
Exact Mass276.26
IUPAC Name1,4-dimethylpiperidine;ethane;methanethiol;3-methylpyrrolidine
SMILESCC.CC1CCN(C)CC1.CC1CCNC1.CS
InChIInChI=1S/C7H15N.C5H11N.C2H6.CH4S/c1-7-3-5-8(2)6-4-7;1-5-2-3-6-4-5;2*1-2/h7H,3-6H2,1-2H3;5-6H,2-4H2,1H3;1-2H3;2H,1H3
InChIKeyBGAGTQZUVPOFCT-UHFFFAOYSA-N
XLogP3.54
TPSA15.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.53
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-[2-(Pyrrolidin-1-yl)ethyl]piperidine
CID 296293
4-(Pyrrolidin-1-ylmethyl)piperidine
CID 16768347
4-fluoro-4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]piperidine
CID 176562165
4-(1-(Pyrrolidin-1-yl)ethyl)piperidine
CID 24820550
4-[(3-Fluoro-3-methylpyrrolidin-1-yl)methyl]piperidine
CID 115022055
1-(2-Pyrrolidin-3-ylethyl)piperidine
CID 15057337
4-Methyl-1-(pyrrolidin-3-ylmethyl)piperidine
CID 56831721
4-[(2-Methylpyrrolidin-1-yl)methyl]piperidine
CID 57445881
4-[[(3R)-3-ethylpyrrolidin-1-yl]methyl]piperidine
CID 57639815
8-Isobutyl-2,8-diazaspiro[4.5]decane
CID 58026283
N-methyl-1-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methanamine
CID 58639098
4-[(3-Methylpyrrolidin-1-yl)methyl]piperidine
CID 61225434

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperidine;ethane;methanethiol;3-methylpyrrolidine?
The IUPAC name of 1,4-dimethylpiperidine;ethane;methanethiol;3-methylpyrrolidine (CID 143539499) is 1,4-dimethylpiperidine;ethane;methanethiol;3-methylpyrrolidine.
What is the SMILES notation for 1,4-dimethylpiperidine;ethane;methanethiol;3-methylpyrrolidine?
The canonical SMILES for 1,4-dimethylpiperidine;ethane;methanethiol;3-methylpyrrolidine is CC.CC1CCN(C)CC1.CC1CCNC1.CS.
What is the InChIKey of 1,4-dimethylpiperidine;ethane;methanethiol;3-methylpyrrolidine?
The InChIKey is BGAGTQZUVPOFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C5H11N.C2H6.CH4S/c1-7-3-5-8(2)6-4-7;1-5-2-3-6-4-5;2*1-2/h7H,3-6H2,1-2H3;5-6H,2-4H2,1H3;1-2H3;2H,1H3.
What are the key properties of 1,4-dimethylpiperidine;ethane;methanethiol;3-methylpyrrolidine?
1,4-dimethylpiperidine;ethane;methanethiol;3-methylpyrrolidine has a molecular weight of 276.53 g/mol, XLogP of 3.54, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperidine;ethane;methanethiol;3-methylpyrrolidine is sourced from PubChem (CID 143539499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).