1-(2-ethyl-6-methylphenyl)-4-(1-methylpiperidin-4-yl)piperidine

C20H32N2 — CID 59110945

IUPAC1-(2-ethyl-6-methylphenyl)-4-(1-methylpiperidin-4-yl)piperidine
SMILESCCc1cccc(C)c1N1CCC(C2CCN(C)CC2)CC1
InChIInChI=1S/C20H32N2/c1-4-17-7-5-6-16(2)20(17)22-14-10-19(11-15-22)18-8-12-21(3)13-9-18/h5-7,18-19H,4,8-15H2,1-3H3
InChIKeyZKMFLFQVZWLDES-UHFFFAOYSA-N
MW300.49 g/mol
LogP4.12
Rot. Bonds3

About 1-(2-ethyl-6-methylphenyl)-4-(1-methylpiperidin-4-yl)piperidine

1-(2-ethyl-6-methylphenyl)-4-(1-methylpiperidin-4-yl)piperidine (PubChem CID 59110945) has the molecular formula C20H32N2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 1-(2-ethyl-6-methylphenyl)-4-(1-methylpiperidin-4-yl)piperidine.

Molecular Properties

Compound Name1-(2-ethyl-6-methylphenyl)-4-(1-methylpiperidin-4-yl)piperidine
PubChem CID59110945
Molecular FormulaC20H32N2
Molecular Weight300.49 g/mol
Exact Mass300.26
IUPAC Name1-(2-ethyl-6-methylphenyl)-4-(1-methylpiperidin-4-yl)piperidine
SMILESCCc1cccc(C)c1N1CCC(C2CCN(C)CC2)CC1
InChIInChI=1S/C20H32N2/c1-4-17-7-5-6-16(2)20(17)22-14-10-19(11-15-22)18-8-12-21(3)13-9-18/h5-7,18-19H,4,8-15H2,1-3H3
InChIKeyZKMFLFQVZWLDES-UHFFFAOYSA-N
XLogP4.12
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethyl-6-methylphenyl)pyrrolidine
CID 168515642
1-(2,6-diethylphenyl)-4-methylpiperazine
CID 58732893
1-(2-ethyl-6-methylphenyl)piperidin-4-one
CID 117028332
1-(2-ethyl-6-methylphenyl)azetidin-3-amine
CID 117002804
[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-methylphenyl]methanamine
CID 107105553
1-(2,6-diethylphenyl)piperidin-4-ol
CID 117028325
cyclohexyl-[4-(2-ethyl-6-methylphenyl)piperazin-1-yl]methanone
CID 113075979
methyl 1-(2-ethyl-6-methylphenyl)pyrrolidine-3-carboxylate
CID 117028348
3-[1-(2-ethyl-6-methylphenyl)pyrrolidin-3-yl]propanoic acid
CID 117002596
[1-(2,6-diethylphenyl)piperidin-4-yl]methanol
CID 117027938
1-(2-ethyl-6-methylphenyl)-3-hydroxypiperidin-2-one
CID 117014103
4-amino-1-(2-ethyl-6-methylphenyl)piperidine-4-carboxylic acid
CID 117011778

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-6-methylphenyl)-4-(1-methylpiperidin-4-yl)piperidine?
The IUPAC name of 1-(2-ethyl-6-methylphenyl)-4-(1-methylpiperidin-4-yl)piperidine (CID 59110945) is 1-(2-ethyl-6-methylphenyl)-4-(1-methylpiperidin-4-yl)piperidine.
What is the SMILES notation for 1-(2-ethyl-6-methylphenyl)-4-(1-methylpiperidin-4-yl)piperidine?
The canonical SMILES for 1-(2-ethyl-6-methylphenyl)-4-(1-methylpiperidin-4-yl)piperidine is CCc1cccc(C)c1N1CCC(C2CCN(C)CC2)CC1.
What is the InChIKey of 1-(2-ethyl-6-methylphenyl)-4-(1-methylpiperidin-4-yl)piperidine?
The InChIKey is ZKMFLFQVZWLDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2/c1-4-17-7-5-6-16(2)20(17)22-14-10-19(11-15-22)18-8-12-21(3)13-9-18/h5-7,18-19H,4,8-15H2,1-3H3.
What are the key properties of 1-(2-ethyl-6-methylphenyl)-4-(1-methylpiperidin-4-yl)piperidine?
1-(2-ethyl-6-methylphenyl)-4-(1-methylpiperidin-4-yl)piperidine has a molecular weight of 300.49 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-6-methylphenyl)-4-(1-methylpiperidin-4-yl)piperidine is sourced from PubChem (CID 59110945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).