1-(4-tert-butyl-3-methylphenyl)-3,5-dimethylpiperidine

C18H29N — CID 129258259

IUPAC1-(4-tert-butyl-3-methylphenyl)-3,5-dimethylpiperidine
SMILESCc1cc(N2CC(C)CC(C)C2)ccc1C(C)(C)C
InChIInChI=1S/C18H29N/c1-13-9-14(2)12-19(11-13)16-7-8-17(15(3)10-16)18(4,5)6/h7-8,10,13-14H,9,11-12H2,1-6H3
InChIKeyLXJPRNHMMHSVST-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.77
Rot. Bonds1

About 1-(4-tert-butyl-3-methylphenyl)-3,5-dimethylpiperidine

1-(4-tert-butyl-3-methylphenyl)-3,5-dimethylpiperidine (PubChem CID 129258259) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 1-(4-tert-butyl-3-methylphenyl)-3,5-dimethylpiperidine.

Molecular Properties

Compound Name1-(4-tert-butyl-3-methylphenyl)-3,5-dimethylpiperidine
PubChem CID129258259
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name1-(4-tert-butyl-3-methylphenyl)-3,5-dimethylpiperidine
SMILESCc1cc(N2CC(C)CC(C)C2)ccc1C(C)(C)C
InChIInChI=1S/C18H29N/c1-13-9-14(2)12-19(11-13)16-7-8-17(15(3)10-16)18(4,5)6/h7-8,10,13-14H,9,11-12H2,1-6H3
InChIKeyLXJPRNHMMHSVST-UHFFFAOYSA-N
XLogP4.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 7567
N,N-diethyl-m-toluidine
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N,N,N',N'-Tetramethylbenzidine
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N-(1-ethylpropyl)-3,4-dimethylaniline
CID 91984
Michler's ethylene
CID 81995
1-(3,4-Xylyl)piperazine
CID 2723782
N-Benzyl-N-ethyl-m-toluidine
CID 67076
4,4'-methylenebis[N,N-diethylaniline]
CID 67288
N,N-diethyl-p-toluidine
CID 69177
Amiflamine
CID 71221
1-Methyl-4-naphthalen-2-ylpiperazine
CID 3044599
3-((S)-1-Propyl-piperidin-3-yl)-phenylamine
CID 10013665

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-3-methylphenyl)-3,5-dimethylpiperidine?
The IUPAC name of 1-(4-tert-butyl-3-methylphenyl)-3,5-dimethylpiperidine (CID 129258259) is 1-(4-tert-butyl-3-methylphenyl)-3,5-dimethylpiperidine.
What is the SMILES notation for 1-(4-tert-butyl-3-methylphenyl)-3,5-dimethylpiperidine?
The canonical SMILES for 1-(4-tert-butyl-3-methylphenyl)-3,5-dimethylpiperidine is Cc1cc(N2CC(C)CC(C)C2)ccc1C(C)(C)C.
What is the InChIKey of 1-(4-tert-butyl-3-methylphenyl)-3,5-dimethylpiperidine?
The InChIKey is LXJPRNHMMHSVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-13-9-14(2)12-19(11-13)16-7-8-17(15(3)10-16)18(4,5)6/h7-8,10,13-14H,9,11-12H2,1-6H3.
What are the key properties of 1-(4-tert-butyl-3-methylphenyl)-3,5-dimethylpiperidine?
1-(4-tert-butyl-3-methylphenyl)-3,5-dimethylpiperidine has a molecular weight of 259.44 g/mol, XLogP of 4.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-3-methylphenyl)-3,5-dimethylpiperidine is sourced from PubChem (CID 129258259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).