1-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]piperidin-3-amine

C17H26N2O — CID 61171932

IUPAC1-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]piperidin-3-amine
SMILESC=CCOc1ccc(CNC2CCCN(CC)C2)cc1
InChIInChI=1S/C17H26N2O/c1-3-12-20-17-9-7-15(8-10-17)13-18-16-6-5-11-19(4-2)14-16/h3,7-10,16,18H,1,4-6,11-14H2,2H3
InChIKeyOEJWOANYIMIMEB-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.83
Rot. Bonds7

About 1-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]piperidin-3-amine

1-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]piperidin-3-amine (PubChem CID 61171932) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name1-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]piperidin-3-amine
PubChem CID61171932
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]piperidin-3-amine
SMILESC=CCOc1ccc(CNC2CCCN(CC)C2)cc1
InChIInChI=1S/C17H26N2O/c1-3-12-20-17-9-7-15(8-10-17)13-18-16-6-5-11-19(4-2)14-16/h3,7-10,16,18H,1,4-6,11-14H2,2H3
InChIKeyOEJWOANYIMIMEB-UHFFFAOYSA-N
XLogP2.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidin-3-amine
CID 61170766
1-(4-ethylmorpholin-2-yl)-N-[(4-prop-2-enoxyphenyl)methyl]methanamine
CID 115616594
1-ethyl-N-[(4-nitrophenyl)methyl]piperidin-3-amine
CID 61171344
N-[(4-ethoxyphenyl)methyl]-1-ethylpiperidin-4-amine
CID 60657865
N-[(4-ethoxyphenyl)methyl]-1-methylpiperidin-3-amine
CID 61212892
N-[(4-prop-2-enoxyphenyl)methyl]thian-4-amine
CID 115615614
1-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine
CID 61169019
1-ethyl-N-(pyrimidin-5-ylmethyl)piperidin-3-amine
CID 62759751
2,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]cyclopentan-1-amine
CID 79860887
1-ethyl-N-[(4-ethylphenyl)methyl]azepan-4-amine
CID 106899503
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-prop-2-enoxyphenyl)methyl]piperidin-3-amine?
The IUPAC name of 1-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]piperidin-3-amine (CID 61171932) is 1-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]piperidin-3-amine.
What is the SMILES notation for 1-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]piperidin-3-amine?
The canonical SMILES for 1-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]piperidin-3-amine is C=CCOc1ccc(CNC2CCCN(CC)C2)cc1.
What is the InChIKey of 1-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]piperidin-3-amine?
The InChIKey is OEJWOANYIMIMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-12-20-17-9-7-15(8-10-17)13-18-16-6-5-11-19(4-2)14-16/h3,7-10,16,18H,1,4-6,11-14H2,2H3.
What are the key properties of 1-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]piperidin-3-amine?
1-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]piperidin-3-amine has a molecular weight of 274.41 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]piperidin-3-amine is sourced from PubChem (CID 61171932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).