1-ethyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidin-3-amine

C17H28N2O — CID 61170766

IUPAC1-ethyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidin-3-amine
SMILESCCN1CCCC(NCc2ccc(OC(C)C)cc2)C1
InChIInChI=1S/C17H28N2O/c1-4-19-11-5-6-16(13-19)18-12-15-7-9-17(10-8-15)20-14(2)3/h7-10,14,16,18H,4-6,11-13H2,1-3H3
InChIKeyOYKAQIXETQJRAE-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.05
Rot. Bonds6

About 1-ethyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidin-3-amine

1-ethyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidin-3-amine (PubChem CID 61170766) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-ethyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name1-ethyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidin-3-amine
PubChem CID61170766
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-ethyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidin-3-amine
SMILESCCN1CCCC(NCc2ccc(OC(C)C)cc2)C1
InChIInChI=1S/C17H28N2O/c1-4-19-11-5-6-16(13-19)18-12-15-7-9-17(10-8-15)20-14(2)3/h7-10,14,16,18H,4-6,11-13H2,1-3H3
InChIKeyOYKAQIXETQJRAE-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]piperidin-3-amine
CID 61171932
N-[(4-propan-2-yloxyphenyl)methyl]cyclopentanamine
CID 43434812
1-ethyl-N-[(4-nitrophenyl)methyl]piperidin-3-amine
CID 61171344
1-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine
CID 61169019
1-ethyl-N-(pyrimidin-5-ylmethyl)piperidin-3-amine
CID 62759751
N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-amine
CID 115118837
1-ethyl-N-[(4-ethylphenyl)methyl]azepan-4-amine
CID 106899503
4-[(4-propan-2-yloxyphenyl)methylamino]cyclohexan-1-ol
CID 43761673
N-[(4-ethoxyphenyl)methyl]-1-ethylpiperidin-4-amine
CID 60657865
N-[(4-ethoxyphenyl)methyl]-1-methylpiperidin-3-amine
CID 61212892
N-[(3-cyclopropylphenyl)methyl]-1-ethylpiperidin-3-amine
CID 79978789
2-[[(1-ethylpiperidin-3-yl)amino]methyl]-4-methoxyphenol
CID 61171148

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidin-3-amine?
The IUPAC name of 1-ethyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidin-3-amine (CID 61170766) is 1-ethyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidin-3-amine.
What is the SMILES notation for 1-ethyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidin-3-amine?
The canonical SMILES for 1-ethyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidin-3-amine is CCN1CCCC(NCc2ccc(OC(C)C)cc2)C1.
What is the InChIKey of 1-ethyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidin-3-amine?
The InChIKey is OYKAQIXETQJRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-19-11-5-6-16(13-19)18-12-15-7-9-17(10-8-15)20-14(2)3/h7-10,14,16,18H,4-6,11-13H2,1-3H3.
What are the key properties of 1-ethyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidin-3-amine?
1-ethyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidin-3-amine has a molecular weight of 276.42 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidin-3-amine is sourced from PubChem (CID 61170766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).