(2-amino-6-methoxyphenyl)-(4,4-diethylpiperidin-1-yl)methanone

C17H26N2O2 — CID 81394866

IUPAC(2-amino-6-methoxyphenyl)-(4,4-diethylpiperidin-1-yl)methanone
SMILESCCC1(CC)CCN(C(=O)c2c(N)cccc2OC)CC1
InChIInChI=1S/C17H26N2O2/c1-4-17(5-2)9-11-19(12-10-17)16(20)15-13(18)7-6-8-14(15)21-3/h6-8H,4-5,9-12,18H2,1-3H3
InChIKeyUHLMUGIWPNLQLQ-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.32
Rot. Bonds4

About (2-amino-6-methoxyphenyl)-(4,4-diethylpiperidin-1-yl)methanone

(2-amino-6-methoxyphenyl)-(4,4-diethylpiperidin-1-yl)methanone (PubChem CID 81394866) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (2-amino-6-methoxyphenyl)-(4,4-diethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-6-methoxyphenyl)-(4,4-diethylpiperidin-1-yl)methanone
PubChem CID81394866
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(2-amino-6-methoxyphenyl)-(4,4-diethylpiperidin-1-yl)methanone
SMILESCCC1(CC)CCN(C(=O)c2c(N)cccc2OC)CC1
InChIInChI=1S/C17H26N2O2/c1-4-17(5-2)9-11-19(12-10-17)16(20)15-13(18)7-6-8-14(15)21-3/h6-8H,4-5,9-12,18H2,1-3H3
InChIKeyUHLMUGIWPNLQLQ-UHFFFAOYSA-N
XLogP3.32
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-amino-6-methoxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81420206
(2-amino-6-ethoxyphenyl)-(3,3-diethylpyrrolidin-1-yl)methanone
CID 81395801
(2-amino-6-methoxyphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107210563
(3-amino-2-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 115930537
(2-amino-6-methoxyphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 81395584
2-[1-(2-amino-6-methoxybenzoyl)piperidin-4-yl]acetamide
CID 81394842
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 107159956
(2-amino-6-methoxyphenyl)-(1,4-thiazepan-4-yl)methanone
CID 81420652
1-[4-(2-amino-6-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 81395178
4-(2-amino-6-methoxybenzoyl)piperazin-2-one
CID 81410266
(2-amino-6-methoxyphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776093
(3,3-diethylpyrrolidin-1-yl)-(2,6-dihydroxyphenyl)methanone
CID 103890618

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-methoxyphenyl)-(4,4-diethylpiperidin-1-yl)methanone?
The IUPAC name of (2-amino-6-methoxyphenyl)-(4,4-diethylpiperidin-1-yl)methanone (CID 81394866) is (2-amino-6-methoxyphenyl)-(4,4-diethylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-6-methoxyphenyl)-(4,4-diethylpiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-6-methoxyphenyl)-(4,4-diethylpiperidin-1-yl)methanone is CCC1(CC)CCN(C(=O)c2c(N)cccc2OC)CC1.
What is the InChIKey of (2-amino-6-methoxyphenyl)-(4,4-diethylpiperidin-1-yl)methanone?
The InChIKey is UHLMUGIWPNLQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-17(5-2)9-11-19(12-10-17)16(20)15-13(18)7-6-8-14(15)21-3/h6-8H,4-5,9-12,18H2,1-3H3.
What are the key properties of (2-amino-6-methoxyphenyl)-(4,4-diethylpiperidin-1-yl)methanone?
(2-amino-6-methoxyphenyl)-(4,4-diethylpiperidin-1-yl)methanone has a molecular weight of 290.41 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-methoxyphenyl)-(4,4-diethylpiperidin-1-yl)methanone is sourced from PubChem (CID 81394866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).