N-[1-(4-ethoxyphenyl)ethyl]-2,6-dimethylpiperidin-1-amine

C17H28N2O — CID 83007714

IUPACN-[1-(4-ethoxyphenyl)ethyl]-2,6-dimethylpiperidin-1-amine
SMILESCCOc1ccc(C(C)NN2C(C)CCCC2C)cc1
InChIInChI=1S/C17H28N2O/c1-5-20-17-11-9-16(10-12-17)15(4)18-19-13(2)7-6-8-14(19)3/h9-15,18H,5-8H2,1-4H3
InChIKeyCWOQOAZOXWHMQS-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.91
Rot. Bonds5

About N-[1-(4-ethoxyphenyl)ethyl]-2,6-dimethylpiperidin-1-amine

N-[1-(4-ethoxyphenyl)ethyl]-2,6-dimethylpiperidin-1-amine (PubChem CID 83007714) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)ethyl]-2,6-dimethylpiperidin-1-amine.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)ethyl]-2,6-dimethylpiperidin-1-amine
PubChem CID83007714
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[1-(4-ethoxyphenyl)ethyl]-2,6-dimethylpiperidin-1-amine
SMILESCCOc1ccc(C(C)NN2C(C)CCCC2C)cc1
InChIInChI=1S/C17H28N2O/c1-5-20-17-11-9-16(10-12-17)15(4)18-19-13(2)7-6-8-14(19)3/h9-15,18H,5-8H2,1-4H3
InChIKeyCWOQOAZOXWHMQS-UHFFFAOYSA-N
XLogP3.91
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-ethoxyphenyl)ethyl]-2,5-dimethylpyrrol-1-amine
CID 79101416
N-[1-(4-ethoxyphenyl)ethyl]-4-methylpiperazin-1-amine
CID 83009089
N-[1-(4-ethoxyphenyl)ethyl]cyclobutanecarboxamide
CID 2918368
N-[1-(4-ethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine
CID 64500026
N-[1-(4-ethoxyphenyl)ethyl]-1-methylazepan-4-amine
CID 65070030
(2R,6R)-1-(4-ethoxyphenyl)sulfonyl-2,6-dimethylpiperidine
CID 40514291
1-cyclopropyl-N-[1-(4-ethoxyphenyl)ethyl]propan-1-amine
CID 64918622
N-[1-(4-ethoxyphenyl)ethyl]thian-4-amine
CID 43233377
N-[1-(4-ethoxyphenyl)ethyl]oxepan-4-amine
CID 65081646
N-[1-(4-ethoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine
CID 79860500
N-[1-(4-ethoxyphenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 43788970
N-[1-(4-ethoxyphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43734733

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-2,6-dimethylpiperidin-1-amine?
The IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-2,6-dimethylpiperidin-1-amine (CID 83007714) is N-[1-(4-ethoxyphenyl)ethyl]-2,6-dimethylpiperidin-1-amine.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)ethyl]-2,6-dimethylpiperidin-1-amine?
The canonical SMILES for N-[1-(4-ethoxyphenyl)ethyl]-2,6-dimethylpiperidin-1-amine is CCOc1ccc(C(C)NN2C(C)CCCC2C)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)ethyl]-2,6-dimethylpiperidin-1-amine?
The InChIKey is CWOQOAZOXWHMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-20-17-11-9-16(10-12-17)15(4)18-19-13(2)7-6-8-14(19)3/h9-15,18H,5-8H2,1-4H3.
What are the key properties of N-[1-(4-ethoxyphenyl)ethyl]-2,6-dimethylpiperidin-1-amine?
N-[1-(4-ethoxyphenyl)ethyl]-2,6-dimethylpiperidin-1-amine has a molecular weight of 276.42 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)ethyl]-2,6-dimethylpiperidin-1-amine is sourced from PubChem (CID 83007714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).