1-(3-methylphenyl)piperidine;propane

C15H25N — CID 143942273

IUPAC1-(3-methylphenyl)piperidine;propane
SMILESCCC.Cc1cccc(N2CCCCC2)c1
InChIInChI=1S/C12H17N.C3H8/c1-11-6-5-7-12(10-11)13-8-3-2-4-9-13;1-3-2/h5-7,10H,2-4,8-9H2,1H3;3H2,1-2H3
InChIKeyOBEAORNYTORSBA-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.40
Rot. Bonds1

About 1-(3-methylphenyl)piperidine;propane

1-(3-methylphenyl)piperidine;propane (PubChem CID 143942273) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 1-(3-methylphenyl)piperidine;propane.

Molecular Properties

Compound Name1-(3-methylphenyl)piperidine;propane
PubChem CID143942273
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name1-(3-methylphenyl)piperidine;propane
SMILESCCC.Cc1cccc(N2CCCCC2)c1
InChIInChI=1S/C12H17N.C3H8/c1-11-6-5-7-12(10-11)13-8-3-2-4-9-13;1-3-2/h5-7,10H,2-4,8-9H2,1H3;3H2,1-2H3
InChIKeyOBEAORNYTORSBA-UHFFFAOYSA-N
XLogP4.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-4-(3-methylphenyl)-1,4-diazepane
CID 118420862
1-(3-methylphenyl)-4-propylpiperazine
CID 44570658
1-(3-methylphenyl)-4-pyrrolidin-1-ylsulfonylpiperazine
CID 110705779
(2R)-1-[4-(3-methylphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-2-ol
CID 94183925
1-(2-cyclohexylethyl)-4-(3-methylphenyl)piperazine
CID 173113720
[4-(3-methylphenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295146
1,1-dimethyl-4-(3-methylphenyl)piperazin-1-ium iodide
CID 11099608
2,2-dimethyl-1-[4-(3-methylphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958401
[1-(3-methylphenyl)piperidin-4-yl]methanol
CID 117027926
1-(3-methylphenyl)piperidine-4-carboxylic acid
CID 59023368
3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide
CID 110362158
1-(3-methoxyphenyl)azepane
CID 57276431

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)piperidine;propane?
The IUPAC name of 1-(3-methylphenyl)piperidine;propane (CID 143942273) is 1-(3-methylphenyl)piperidine;propane.
What is the SMILES notation for 1-(3-methylphenyl)piperidine;propane?
The canonical SMILES for 1-(3-methylphenyl)piperidine;propane is CCC.Cc1cccc(N2CCCCC2)c1.
What is the InChIKey of 1-(3-methylphenyl)piperidine;propane?
The InChIKey is OBEAORNYTORSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.C3H8/c1-11-6-5-7-12(10-11)13-8-3-2-4-9-13;1-3-2/h5-7,10H,2-4,8-9H2,1H3;3H2,1-2H3.
What are the key properties of 1-(3-methylphenyl)piperidine;propane?
1-(3-methylphenyl)piperidine;propane has a molecular weight of 219.37 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)piperidine;propane is sourced from PubChem (CID 143942273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).