N-[1-(2,4-dimethoxyphenyl)ethyl]-1-(2-methylprop-2-enyl)piperidin-4-amine

C19H30N2O2 — CID 75427981

IUPACN-[1-(2,4-dimethoxyphenyl)ethyl]-1-(2-methylprop-2-enyl)piperidin-4-amine
SMILESC=C(C)CN1CCC(NC(C)c2ccc(OC)cc2OC)CC1
InChIInChI=1S/C19H30N2O2/c1-14(2)13-21-10-8-16(9-11-21)20-15(3)18-7-6-17(22-4)12-19(18)23-5/h6-7,12,15-16,20H,1,8-11,13H2,2-5H3
InChIKeyBUUGWSYYZCXXRA-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.39
Rot. Bonds7

About N-[1-(2,4-dimethoxyphenyl)ethyl]-1-(2-methylprop-2-enyl)piperidin-4-amine

N-[1-(2,4-dimethoxyphenyl)ethyl]-1-(2-methylprop-2-enyl)piperidin-4-amine (PubChem CID 75427981) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[1-(2,4-dimethoxyphenyl)ethyl]-1-(2-methylprop-2-enyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[1-(2,4-dimethoxyphenyl)ethyl]-1-(2-methylprop-2-enyl)piperidin-4-amine
PubChem CID75427981
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-[1-(2,4-dimethoxyphenyl)ethyl]-1-(2-methylprop-2-enyl)piperidin-4-amine
SMILESC=C(C)CN1CCC(NC(C)c2ccc(OC)cc2OC)CC1
InChIInChI=1S/C19H30N2O2/c1-14(2)13-21-10-8-16(9-11-21)20-15(3)18-7-6-17(22-4)12-19(18)23-5/h6-7,12,15-16,20H,1,8-11,13H2,2-5H3
InChIKeyBUUGWSYYZCXXRA-UHFFFAOYSA-N
XLogP3.39
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2,4-dimethoxyphenyl)ethyl]cyclohexanamine
CID 43189974
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 78870898
cyclopentyl-[3-[1-(2,4-dimethoxyphenyl)ethylamino]pyrrolidin-1-yl]methanone
CID 86779556
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 102551497
N-[1-(2,4-dimethoxyphenyl)ethyl]azepan-4-amine
CID 103981019
N-[1-(2,4-dimethoxyphenyl)ethyl]thiolan-3-amine
CID 43674270
5-methoxy-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol
CID 43206678
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-ethoxycyclobutan-1-amine
CID 115903402
N-butan-2-yl-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 115717921
2-(cyclopentylamino)-2-(2,4-dimethoxyphenyl)ethanol
CID 61056168
2-[1-(cycloheptylamino)ethyl]-5-methoxyphenol
CID 43202473
1-(2,4-dimethoxyphenyl)-3-methylbut-3-en-1-ol
CID 115816972

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-1-(2-methylprop-2-enyl)piperidin-4-amine?
The IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-1-(2-methylprop-2-enyl)piperidin-4-amine (CID 75427981) is N-[1-(2,4-dimethoxyphenyl)ethyl]-1-(2-methylprop-2-enyl)piperidin-4-amine.
What is the SMILES notation for N-[1-(2,4-dimethoxyphenyl)ethyl]-1-(2-methylprop-2-enyl)piperidin-4-amine?
The canonical SMILES for N-[1-(2,4-dimethoxyphenyl)ethyl]-1-(2-methylprop-2-enyl)piperidin-4-amine is C=C(C)CN1CCC(NC(C)c2ccc(OC)cc2OC)CC1.
What is the InChIKey of N-[1-(2,4-dimethoxyphenyl)ethyl]-1-(2-methylprop-2-enyl)piperidin-4-amine?
The InChIKey is BUUGWSYYZCXXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-14(2)13-21-10-8-16(9-11-21)20-15(3)18-7-6-17(22-4)12-19(18)23-5/h6-7,12,15-16,20H,1,8-11,13H2,2-5H3.
What are the key properties of N-[1-(2,4-dimethoxyphenyl)ethyl]-1-(2-methylprop-2-enyl)piperidin-4-amine?
N-[1-(2,4-dimethoxyphenyl)ethyl]-1-(2-methylprop-2-enyl)piperidin-4-amine has a molecular weight of 318.46 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethoxyphenyl)ethyl]-1-(2-methylprop-2-enyl)piperidin-4-amine is sourced from PubChem (CID 75427981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).