ethane;4-(4-methylphenyl)piperidine

C16H29N — CID 145467036

IUPACethane;4-(4-methylphenyl)piperidine
SMILESCC.CC.Cc1ccc(C2CCNCC2)cc1
InChIInChI=1S/C12H17N.2C2H6/c1-10-2-4-11(5-3-10)12-6-8-13-9-7-12;2*1-2/h2-5,12-13H,6-9H2,1H3;2*1-2H3
InChIKeyMCPSPDCAODRXDZ-UHFFFAOYSA-N
MW235.41 g/mol
LogP4.51
Rot. Bonds1

About ethane;4-(4-methylphenyl)piperidine

ethane;4-(4-methylphenyl)piperidine (PubChem CID 145467036) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is ethane;4-(4-methylphenyl)piperidine.

Molecular Properties

Compound Nameethane;4-(4-methylphenyl)piperidine
PubChem CID145467036
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Nameethane;4-(4-methylphenyl)piperidine
SMILESCC.CC.Cc1ccc(C2CCNCC2)cc1
InChIInChI=1S/C12H17N.2C2H6/c1-10-2-4-11(5-3-10)12-6-8-13-9-7-12;2*1-2/h2-5,12-13H,6-9H2,1H3;2*1-2H3
InChIKeyMCPSPDCAODRXDZ-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;4-(4-fluorophenyl)piperidine
CID 144692128
1-cyclopropyl-4-methylbenzene;ethane;methane
CID 164862835
4-(4-chlorophenyl)piperidine;ethane
CID 143751340
4-[4-[4-(4-phenylphenyl)phenyl]phenyl]piperidine
CID 146643621
1-cyclopropyl-4-methylbenzene;methanol
CID 143290478
1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene
CID 59265320
potassium 4-piperidin-4-ylphenolate
CID 143791971
4-(4-piperidin-4-ylphenyl)aniline
CID 116988069
4-(4-bromophenyl)piperidine;hydrochloride
CID 44630758
4-[4-(oxetan-3-yl)phenyl]piperidine
CID 83836156
methanamine;4-phenylpiperidine
CID 143444696
4-(4-cyclohexylphenyl)azepane
CID 82300190

Frequently Asked Questions

What is the IUPAC name of ethane;4-(4-methylphenyl)piperidine?
The IUPAC name of ethane;4-(4-methylphenyl)piperidine (CID 145467036) is ethane;4-(4-methylphenyl)piperidine.
What is the SMILES notation for ethane;4-(4-methylphenyl)piperidine?
The canonical SMILES for ethane;4-(4-methylphenyl)piperidine is CC.CC.Cc1ccc(C2CCNCC2)cc1.
What is the InChIKey of ethane;4-(4-methylphenyl)piperidine?
The InChIKey is MCPSPDCAODRXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.2C2H6/c1-10-2-4-11(5-3-10)12-6-8-13-9-7-12;2*1-2/h2-5,12-13H,6-9H2,1H3;2*1-2H3.
What are the key properties of ethane;4-(4-methylphenyl)piperidine?
ethane;4-(4-methylphenyl)piperidine has a molecular weight of 235.41 g/mol, XLogP of 4.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(4-methylphenyl)piperidine is sourced from PubChem (CID 145467036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).