1-[4-(3-ethoxypiperidin-1-yl)-2-methylphenyl]butan-2-amine

C18H30N2O — CID 63815162

IUPAC1-[4-(3-ethoxypiperidin-1-yl)-2-methylphenyl]butan-2-amine
SMILESCCOC1CCCN(c2ccc(CC(N)CC)c(C)c2)C1
InChIInChI=1S/C18H30N2O/c1-4-16(19)12-15-8-9-17(11-14(15)3)20-10-6-7-18(13-20)21-5-2/h8-9,11,16,18H,4-7,10,12-13,19H2,1-3H3
InChIKeyCKJYXPKEGNKVKP-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.28
Rot. Bonds6

About 1-[4-(3-ethoxypiperidin-1-yl)-2-methylphenyl]butan-2-amine

1-[4-(3-ethoxypiperidin-1-yl)-2-methylphenyl]butan-2-amine (PubChem CID 63815162) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-[4-(3-ethoxypiperidin-1-yl)-2-methylphenyl]butan-2-amine.

Molecular Properties

Compound Name1-[4-(3-ethoxypiperidin-1-yl)-2-methylphenyl]butan-2-amine
PubChem CID63815162
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-[4-(3-ethoxypiperidin-1-yl)-2-methylphenyl]butan-2-amine
SMILESCCOC1CCCN(c2ccc(CC(N)CC)c(C)c2)C1
InChIInChI=1S/C18H30N2O/c1-4-16(19)12-15-8-9-17(11-14(15)3)20-10-6-7-18(13-20)21-5-2/h8-9,11,16,18H,4-7,10,12-13,19H2,1-3H3
InChIKeyCKJYXPKEGNKVKP-UHFFFAOYSA-N
XLogP3.28
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(3-ethoxypiperidin-1-yl)-2-methylphenyl]propan-2-amine
CID 63817795
4-(3-ethoxypiperidin-1-yl)-2-methylbenzonitrile
CID 81281915
1-[2-methyl-4-(2-methylmorpholin-4-yl)phenyl]butan-2-amine
CID 63787083
1-[4-(4,4-dimethylpiperidin-1-yl)-2-methylphenyl]butan-2-amine
CID 63794169
1-[2-methyl-4-(4-propylpiperidin-1-yl)phenyl]butan-2-amine
CID 63793962
2-[2-amino-5-(3-ethoxypiperidin-1-yl)phenyl]acetonitrile
CID 102624103
1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]butan-2-amine
CID 102968801
[4-(3-ethylpiperidin-1-yl)-2-methylphenyl]methanamine
CID 62135363
[4-(3-ethoxypiperidin-1-yl)-3-methylphenyl]methanamine
CID 55135292
1-[2-methyl-4-(4-propan-2-ylpiperidin-1-yl)phenyl]propan-2-amine
CID 103503923
3-ethoxy-1-(4-nitrophenyl)piperidine
CID 75917775
4-(3-ethoxypiperidin-1-yl)-N-ethylpyridin-2-amine
CID 113367668

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-ethoxypiperidin-1-yl)-2-methylphenyl]butan-2-amine?
The IUPAC name of 1-[4-(3-ethoxypiperidin-1-yl)-2-methylphenyl]butan-2-amine (CID 63815162) is 1-[4-(3-ethoxypiperidin-1-yl)-2-methylphenyl]butan-2-amine.
What is the SMILES notation for 1-[4-(3-ethoxypiperidin-1-yl)-2-methylphenyl]butan-2-amine?
The canonical SMILES for 1-[4-(3-ethoxypiperidin-1-yl)-2-methylphenyl]butan-2-amine is CCOC1CCCN(c2ccc(CC(N)CC)c(C)c2)C1.
What is the InChIKey of 1-[4-(3-ethoxypiperidin-1-yl)-2-methylphenyl]butan-2-amine?
The InChIKey is CKJYXPKEGNKVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-16(19)12-15-8-9-17(11-14(15)3)20-10-6-7-18(13-20)21-5-2/h8-9,11,16,18H,4-7,10,12-13,19H2,1-3H3.
What are the key properties of 1-[4-(3-ethoxypiperidin-1-yl)-2-methylphenyl]butan-2-amine?
1-[4-(3-ethoxypiperidin-1-yl)-2-methylphenyl]butan-2-amine has a molecular weight of 290.45 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-ethoxypiperidin-1-yl)-2-methylphenyl]butan-2-amine is sourced from PubChem (CID 63815162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).