ethane;3-(2-methylphenyl)piperidine

C14H23N — CID 144655647

IUPACethane;3-(2-methylphenyl)piperidine
SMILESCC.Cc1ccccc1C1CCCNC1
InChIInChI=1S/C12H17N.C2H6/c1-10-5-2-3-7-12(10)11-6-4-8-13-9-11;1-2/h2-3,5,7,11,13H,4,6,8-9H2,1H3;1-2H3
InChIKeyRMYNRJGCDXLBOE-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.49
Rot. Bonds1

About ethane;3-(2-methylphenyl)piperidine

ethane;3-(2-methylphenyl)piperidine (PubChem CID 144655647) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is ethane;3-(2-methylphenyl)piperidine.

Molecular Properties

Compound Nameethane;3-(2-methylphenyl)piperidine
PubChem CID144655647
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Nameethane;3-(2-methylphenyl)piperidine
SMILESCC.Cc1ccccc1C1CCCNC1
InChIInChI=1S/C12H17N.C2H6/c1-10-5-2-3-7-12(10)11-6-4-8-13-9-11;1-2/h2-3,5,7,11,13H,4,6,8-9H2,1H3;1-2H3
InChIKeyRMYNRJGCDXLBOE-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-methyl-2-phenylphenyl)piperidine
CID 143194831
3-(2,6-dimethylphenyl)piperidine;ethane
CID 143178371
3-(2,4-dimethylphenyl)piperidine
CID 10535662
(3S)-3-(2,5-dimethylphenyl)piperidine
CID 92981749
(3S)-3-(2-tert-butylphenyl)piperidine
CID 118547022
(3S)-3-(3-bromo-2-methylphenyl)piperidine
CID 130792046
3-(2-methylsulfonylphenyl)piperidine
CID 82388241
2-[(3R)-piperidin-3-yl]benzonitrile
CID 93478487
3-[2-(3,3-dimethylcyclohexyl)phenyl]piperidine
CID 117431737
3-(2-methyl-4-methylsulfanylphenyl)piperidine
CID 117317191
4,5-dimethyl-2-piperidin-3-ylaniline
CID 166143865
3-(2,3-dichlorophenyl)piperidine
CID 24904244

Frequently Asked Questions

What is the IUPAC name of ethane;3-(2-methylphenyl)piperidine?
The IUPAC name of ethane;3-(2-methylphenyl)piperidine (CID 144655647) is ethane;3-(2-methylphenyl)piperidine.
What is the SMILES notation for ethane;3-(2-methylphenyl)piperidine?
The canonical SMILES for ethane;3-(2-methylphenyl)piperidine is CC.Cc1ccccc1C1CCCNC1.
What is the InChIKey of ethane;3-(2-methylphenyl)piperidine?
The InChIKey is RMYNRJGCDXLBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.C2H6/c1-10-5-2-3-7-12(10)11-6-4-8-13-9-11;1-2/h2-3,5,7,11,13H,4,6,8-9H2,1H3;1-2H3.
What are the key properties of ethane;3-(2-methylphenyl)piperidine?
ethane;3-(2-methylphenyl)piperidine has a molecular weight of 205.34 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(2-methylphenyl)piperidine is sourced from PubChem (CID 144655647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).