4-(2-methoxyethyl)-4-methyl-3-(4-methylphenyl)piperidine

C16H25NO — CID 79441381

IUPAC4-(2-methoxyethyl)-4-methyl-3-(4-methylphenyl)piperidine
SMILESCOCCC1(C)CCNCC1c1ccc(C)cc1
InChIInChI=1S/C16H25NO/c1-13-4-6-14(7-5-13)15-12-17-10-8-16(15,2)9-11-18-3/h4-7,15,17H,8-12H2,1-3H3
InChIKeyGJTRKDNIHRPZDN-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.11
Rot. Bonds4

About 4-(2-methoxyethyl)-4-methyl-3-(4-methylphenyl)piperidine

4-(2-methoxyethyl)-4-methyl-3-(4-methylphenyl)piperidine (PubChem CID 79441381) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-4-methyl-3-(4-methylphenyl)piperidine.

Molecular Properties

Compound Name4-(2-methoxyethyl)-4-methyl-3-(4-methylphenyl)piperidine
PubChem CID79441381
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-(2-methoxyethyl)-4-methyl-3-(4-methylphenyl)piperidine
SMILESCOCCC1(C)CCNCC1c1ccc(C)cc1
InChIInChI=1S/C16H25NO/c1-13-4-6-14(7-5-13)15-12-17-10-8-16(15,2)9-11-18-3/h4-7,15,17H,8-12H2,1-3H3
InChIKeyGJTRKDNIHRPZDN-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-4-methyl-3-(4-methylphenyl)piperidine?
The IUPAC name of 4-(2-methoxyethyl)-4-methyl-3-(4-methylphenyl)piperidine (CID 79441381) is 4-(2-methoxyethyl)-4-methyl-3-(4-methylphenyl)piperidine.
What is the SMILES notation for 4-(2-methoxyethyl)-4-methyl-3-(4-methylphenyl)piperidine?
The canonical SMILES for 4-(2-methoxyethyl)-4-methyl-3-(4-methylphenyl)piperidine is COCCC1(C)CCNCC1c1ccc(C)cc1.
What is the InChIKey of 4-(2-methoxyethyl)-4-methyl-3-(4-methylphenyl)piperidine?
The InChIKey is GJTRKDNIHRPZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13-4-6-14(7-5-13)15-12-17-10-8-16(15,2)9-11-18-3/h4-7,15,17H,8-12H2,1-3H3.
What are the key properties of 4-(2-methoxyethyl)-4-methyl-3-(4-methylphenyl)piperidine?
4-(2-methoxyethyl)-4-methyl-3-(4-methylphenyl)piperidine has a molecular weight of 247.38 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-4-methyl-3-(4-methylphenyl)piperidine is sourced from PubChem (CID 79441381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).