1-(2-methoxyethyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-4-amine

C18H28N2O — CID 119108245

IUPAC1-(2-methoxyethyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-4-amine
SMILESCOCCN1CCC(NC/C(C)=C/c2ccccc2)CC1
InChIInChI=1S/C18H28N2O/c1-16(14-17-6-4-3-5-7-17)15-19-18-8-10-20(11-9-18)12-13-21-2/h3-7,14,18-19H,8-13,15H2,1-2H3/b16-14+
InChIKeyULIGBCMBMCYOAI-JQIJEIRASA-N
MW288.44 g/mol
LogP2.79
Rot. Bonds7

About 1-(2-methoxyethyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-4-amine

1-(2-methoxyethyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-4-amine (PubChem CID 119108245) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-4-amine
PubChem CID119108245
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-(2-methoxyethyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-4-amine
SMILESCOCCN1CCC(NC/C(C)=C/c2ccccc2)CC1
InChIInChI=1S/C18H28N2O/c1-16(14-17-6-4-3-5-7-17)15-19-18-8-10-20(11-9-18)12-13-21-2/h3-7,14,18-19H,8-13,15H2,1-2H3/b16-14+
InChIKeyULIGBCMBMCYOAI-JQIJEIRASA-N
XLogP2.79
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(E)-2-methyl-3-phenylprop-2-enyl]-1-propan-2-ylpiperidin-4-amine
CID 119107841
N-(2-methyl-3-phenylprop-2-enyl)-1-(2-pyridin-4-ylethyl)piperidin-4-amine
CID 71934183
1-cyclopropyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-4-amine
CID 56823400
N-[(E)-2-methyl-3-phenylprop-2-enyl]-1-(1-methylpiperidin-4-yl)piperidin-4-amine
CID 119108400
(2-fluorophenyl)-[4-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]piperidin-1-yl]methanone
CID 119108021
2-amino-N-[1-(2-methoxyethyl)piperidin-4-yl]-3-phenylpropanamide
CID 119861342
2-methyl-3-phenyl-N-(2-piperidin-1-ylethyl)prop-2-en-1-amine
CID 68682291
2-methyl-3-phenyl-N-(3-pyrrolidin-1-ylpropyl)prop-2-en-1-amine
CID 68681903
N-[2-methyl-3-(4-propoxyphenyl)prop-2-enyl]cyclopropanamine
CID 79340630
N-[3-(4-butoxyphenyl)-2-methylprop-2-enyl]cyclopropanamine
CID 79341149
3-[[1-(2-methoxyethyl)piperidin-4-yl]amino]propan-1-ol
CID 115705235
N-[3-(3-bromophenyl)-2-methylprop-2-enyl]cyclopropanamine
CID 79340531

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-4-amine?
The IUPAC name of 1-(2-methoxyethyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-4-amine (CID 119108245) is 1-(2-methoxyethyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-4-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-4-amine?
The canonical SMILES for 1-(2-methoxyethyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-4-amine is COCCN1CCC(NC/C(C)=C/c2ccccc2)CC1.
What is the InChIKey of 1-(2-methoxyethyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-4-amine?
The InChIKey is ULIGBCMBMCYOAI-JQIJEIRASA-N. The full InChI is InChI=1S/C18H28N2O/c1-16(14-17-6-4-3-5-7-17)15-19-18-8-10-20(11-9-18)12-13-21-2/h3-7,14,18-19H,8-13,15H2,1-2H3/b16-14+.
What are the key properties of 1-(2-methoxyethyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-4-amine?
1-(2-methoxyethyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-4-amine has a molecular weight of 288.44 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-4-amine is sourced from PubChem (CID 119108245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).