2-[1-(4-ethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanamine

C17H28N2 — CID 117020563

IUPAC2-[1-(4-ethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanamine
SMILESCCc1ccc(N2CCC(CCN)CC2(C)C)cc1
InChIInChI=1S/C17H28N2/c1-4-14-5-7-16(8-6-14)19-12-10-15(9-11-18)13-17(19,2)3/h5-8,15H,4,9-13,18H2,1-3H3
InChIKeyLERRDQKTWHJSSS-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.59
Rot. Bonds4

About 2-[1-(4-ethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanamine

2-[1-(4-ethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanamine (PubChem CID 117020563) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-[1-(4-ethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(4-ethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanamine
PubChem CID117020563
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-[1-(4-ethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanamine
SMILESCCc1ccc(N2CCC(CCN)CC2(C)C)cc1
InChIInChI=1S/C17H28N2/c1-4-14-5-7-16(8-6-14)19-12-10-15(9-11-18)13-17(19,2)3/h5-8,15H,4,9-13,18H2,1-3H3
InChIKeyLERRDQKTWHJSSS-UHFFFAOYSA-N
XLogP3.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-2,2-dimethylpiperidin-4-amine
CID 117020110
2-[1-(4-ethylphenyl)piperidin-4-yl]ethanamine
CID 82289871
1-(4-ethylphenyl)-2,2-dimethylpiperidine-4-carbonitrile
CID 117020276
[2,2-dimethyl-1-(4-methylphenyl)piperidin-4-yl]methanamine
CID 117020616
2-[1-(2,6-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanamine
CID 117020560
4-ethyl-1-(4-ethylphenyl)piperidine
CID 70847074
1,3-bis(4-ethylphenyl)-2,2-difluoroimidazolidine
CID 139928195
1-[1-(4-ethylphenyl)-6,6-dimethylpiperidin-3-yl]-N-methylmethanamine
CID 117021673
ethane;4-ethyl-1-(4-ethylphenyl)piperidine
CID 142390325
2-[1-(3,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanol
CID 117020439
5-(2-aminoethyl)-3-(4-ethylphenyl)-1,3-oxazinan-2-one
CID 117002404
2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanamine
CID 15044920

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanamine?
The IUPAC name of 2-[1-(4-ethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanamine (CID 117020563) is 2-[1-(4-ethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(4-ethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanamine?
The canonical SMILES for 2-[1-(4-ethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanamine is CCc1ccc(N2CCC(CCN)CC2(C)C)cc1.
What is the InChIKey of 2-[1-(4-ethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanamine?
The InChIKey is LERRDQKTWHJSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-14-5-7-16(8-6-14)19-12-10-15(9-11-18)13-17(19,2)3/h5-8,15H,4,9-13,18H2,1-3H3.
What are the key properties of 2-[1-(4-ethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanamine?
2-[1-(4-ethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanamine is sourced from PubChem (CID 117020563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).