1-[(3,4-dimethylphenyl)methyl]piperidine;ethane

C16H27N — CID 176955142

IUPAC1-[(3,4-dimethylphenyl)methyl]piperidine;ethane
SMILESCC.Cc1ccc(CN2CCCCC2)cc1C
InChIInChI=1S/C14H21N.C2H6/c1-12-6-7-14(10-13(12)2)11-15-8-4-3-5-9-15;1-2/h6-7,10H,3-5,8-9,11H2,1-2H3;1-2H3
InChIKeyYBHVTRKERSMAEF-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.32
Rot. Bonds2

About 1-[(3,4-dimethylphenyl)methyl]piperidine;ethane

1-[(3,4-dimethylphenyl)methyl]piperidine;ethane (PubChem CID 176955142) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 1-[(3,4-dimethylphenyl)methyl]piperidine;ethane.

Molecular Properties

Compound Name1-[(3,4-dimethylphenyl)methyl]piperidine;ethane
PubChem CID176955142
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name1-[(3,4-dimethylphenyl)methyl]piperidine;ethane
SMILESCC.Cc1ccc(CN2CCCCC2)cc1C
InChIInChI=1S/C14H21N.C2H6/c1-12-6-7-14(10-13(12)2)11-15-8-4-3-5-9-15;1-2/h6-7,10H,3-5,8-9,11H2,1-2H3;1-2H3
InChIKeyYBHVTRKERSMAEF-UHFFFAOYSA-N
XLogP4.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3,4-dimethylphenyl)methyl]-4-methylpiperazine
CID 71214328
[2-methyl-5-(piperidin-1-ylmethyl)phenyl]methanamine
CID 125454284
1-[(3,4,5-trimethylphenyl)methyl]piperidine
CID 91162015
ethane;1-[(4-methylphenyl)methyl]piperidine
CID 143603243
1-[(4-methylphenyl)methyl]azepane
CID 3951815
1-[(3,4-dimethylphenyl)methyl]-4-methylpiperidin-4-ol
CID 81116386
1-[4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]ethanone
CID 123780997
1-[(3,4-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 66770442
(3,4-dimethylphenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724806
(3R)-8-[(3,4-dimethylphenyl)methyl]-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane
CID 97487653
1-[[4-(bromomethyl)phenyl]methyl]piperidine;hydrobromide
CID 163358516
N-[2-(3,4-dimethylphenyl)ethyl]-4-piperidin-1-ylbutan-1-amine
CID 173324718

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethylphenyl)methyl]piperidine;ethane?
The IUPAC name of 1-[(3,4-dimethylphenyl)methyl]piperidine;ethane (CID 176955142) is 1-[(3,4-dimethylphenyl)methyl]piperidine;ethane.
What is the SMILES notation for 1-[(3,4-dimethylphenyl)methyl]piperidine;ethane?
The canonical SMILES for 1-[(3,4-dimethylphenyl)methyl]piperidine;ethane is CC.Cc1ccc(CN2CCCCC2)cc1C.
What is the InChIKey of 1-[(3,4-dimethylphenyl)methyl]piperidine;ethane?
The InChIKey is YBHVTRKERSMAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N.C2H6/c1-12-6-7-14(10-13(12)2)11-15-8-4-3-5-9-15;1-2/h6-7,10H,3-5,8-9,11H2,1-2H3;1-2H3.
What are the key properties of 1-[(3,4-dimethylphenyl)methyl]piperidine;ethane?
1-[(3,4-dimethylphenyl)methyl]piperidine;ethane has a molecular weight of 233.40 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethylphenyl)methyl]piperidine;ethane is sourced from PubChem (CID 176955142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).