[1-(4-ethoxyphenyl)-3,3-dimethylpiperidin-4-yl]methanamine

C16H26N2O — CID 117024891

IUPAC[1-(4-ethoxyphenyl)-3,3-dimethylpiperidin-4-yl]methanamine
SMILESCCOc1ccc(N2CCC(CN)C(C)(C)C2)cc1
InChIInChI=1S/C16H26N2O/c1-4-19-15-7-5-14(6-8-15)18-10-9-13(11-17)16(2,3)12-18/h5-8,13H,4,9-12,17H2,1-3H3
InChIKeyUBNLKFSFXVMYGF-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.90
Rot. Bonds4

About [1-(4-ethoxyphenyl)-3,3-dimethylpiperidin-4-yl]methanamine

[1-(4-ethoxyphenyl)-3,3-dimethylpiperidin-4-yl]methanamine (PubChem CID 117024891) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is [1-(4-ethoxyphenyl)-3,3-dimethylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(4-ethoxyphenyl)-3,3-dimethylpiperidin-4-yl]methanamine
PubChem CID117024891
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name[1-(4-ethoxyphenyl)-3,3-dimethylpiperidin-4-yl]methanamine
SMILESCCOc1ccc(N2CCC(CN)C(C)(C)C2)cc1
InChIInChI=1S/C16H26N2O/c1-4-19-15-7-5-14(6-8-15)18-10-9-13(11-17)16(2,3)12-18/h5-8,13H,4,9-12,17H2,1-3H3
InChIKeyUBNLKFSFXVMYGF-UHFFFAOYSA-N
XLogP2.90
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

[1-(4-fluorophenyl)-3,3-dimethylpiperidin-4-yl]methanamine
CID 117024877
4-[4-(aminomethyl)-3,3-dimethylpiperidin-1-yl]benzonitrile
CID 117024904
1-(4-ethoxyphenyl)pyrrolidin-3-amine
CID 43314939
1-(4-methoxyphenyl)-3,3-dimethylpiperidin-4-amine
CID 117024391
2-[1-(4-methoxyphenyl)-3,3-dimethylpiperidin-4-yl]acetonitrile
CID 117024762
(3R)-1-(4-ethoxyphenyl)pyrrolidin-3-ol
CID 95732309
1-(4-ethoxyphenyl)-3-methylpyrrolidine
CID 143805515
1-[(4-ethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782053
[1-(2-chlorophenyl)-3,3-dimethylpiperidin-4-yl]methanamine
CID 117024878
[1-(4-bromophenyl)-3,3-dimethylpiperidin-4-yl]methanol
CID 117024959
[4-(4-ethoxyphenyl)-6-methylmorpholin-2-yl]methanamine
CID 82297535
4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]butan-2-amine
CID 83982060

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethoxyphenyl)-3,3-dimethylpiperidin-4-yl]methanamine?
The IUPAC name of [1-(4-ethoxyphenyl)-3,3-dimethylpiperidin-4-yl]methanamine (CID 117024891) is [1-(4-ethoxyphenyl)-3,3-dimethylpiperidin-4-yl]methanamine.
What is the SMILES notation for [1-(4-ethoxyphenyl)-3,3-dimethylpiperidin-4-yl]methanamine?
The canonical SMILES for [1-(4-ethoxyphenyl)-3,3-dimethylpiperidin-4-yl]methanamine is CCOc1ccc(N2CCC(CN)C(C)(C)C2)cc1.
What is the InChIKey of [1-(4-ethoxyphenyl)-3,3-dimethylpiperidin-4-yl]methanamine?
The InChIKey is UBNLKFSFXVMYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-19-15-7-5-14(6-8-15)18-10-9-13(11-17)16(2,3)12-18/h5-8,13H,4,9-12,17H2,1-3H3.
What are the key properties of [1-(4-ethoxyphenyl)-3,3-dimethylpiperidin-4-yl]methanamine?
[1-(4-ethoxyphenyl)-3,3-dimethylpiperidin-4-yl]methanamine has a molecular weight of 262.40 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethoxyphenyl)-3,3-dimethylpiperidin-4-yl]methanamine is sourced from PubChem (CID 117024891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).