N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-(2-methylprop-2-enyl)piperidin-4-amine

C19H28N2O — CID 119124263

IUPACN-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-(2-methylprop-2-enyl)piperidin-4-amine
SMILESC=C(C)CN1CCC(NC/C=C/c2ccccc2OC)CC1
InChIInChI=1S/C19H28N2O/c1-16(2)15-21-13-10-18(11-14-21)20-12-6-8-17-7-4-5-9-19(17)22-3/h4-9,18,20H,1,10-15H2,2-3H3/b8-6+
InChIKeyVJLOLZNTDKNZKJ-SOFGYWHQSA-N
MW300.45 g/mol
LogP3.34
Rot. Bonds7

About N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-(2-methylprop-2-enyl)piperidin-4-amine

N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-(2-methylprop-2-enyl)piperidin-4-amine (PubChem CID 119124263) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-(2-methylprop-2-enyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-(2-methylprop-2-enyl)piperidin-4-amine
PubChem CID119124263
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC NameN-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-(2-methylprop-2-enyl)piperidin-4-amine
SMILESC=C(C)CN1CCC(NC/C=C/c2ccccc2OC)CC1
InChIInChI=1S/C19H28N2O/c1-16(2)15-21-13-10-18(11-14-21)20-12-6-8-17-7-4-5-9-19(17)22-3/h4-9,18,20H,1,10-15H2,2-3H3/b8-6+
InChIKeyVJLOLZNTDKNZKJ-SOFGYWHQSA-N
XLogP3.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.34
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

4-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]cyclohexane-1-carboxylic acid
CID 120509651
N-benzyl-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 119124375
(4S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]azepan-4-ol
CID 129487837
N-[3-(3-methoxy-2-propan-2-yloxyphenyl)prop-2-enyl]cyclopropanamine
CID 79347726
N-[3-(2-methoxyphenyl)prop-2-enyl]acetamide
CID 169465048
N-(cyclopropylmethyl)-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 78946388
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 119124428
(3S,4S)-3-(hydroxymethyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-ol
CID 157011117
1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781433
N-[3-(2-methoxyphenyl)prop-2-enyl]-1,4-dioxaspiro[4.4]nonan-9-amine
CID 126823830
methyl 2-[4-(2-methoxyanilino)piperidin-1-yl]acetate
CID 71857529
N-cyclopentyl-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]propanamide
CID 56823427

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-(2-methylprop-2-enyl)piperidin-4-amine?
The IUPAC name of N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-(2-methylprop-2-enyl)piperidin-4-amine (CID 119124263) is N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-(2-methylprop-2-enyl)piperidin-4-amine.
What is the SMILES notation for N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-(2-methylprop-2-enyl)piperidin-4-amine?
The canonical SMILES for N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-(2-methylprop-2-enyl)piperidin-4-amine is C=C(C)CN1CCC(NC/C=C/c2ccccc2OC)CC1.
What is the InChIKey of N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-(2-methylprop-2-enyl)piperidin-4-amine?
The InChIKey is VJLOLZNTDKNZKJ-SOFGYWHQSA-N. The full InChI is InChI=1S/C19H28N2O/c1-16(2)15-21-13-10-18(11-14-21)20-12-6-8-17-7-4-5-9-19(17)22-3/h4-9,18,20H,1,10-15H2,2-3H3/b8-6+.
What are the key properties of N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-(2-methylprop-2-enyl)piperidin-4-amine?
N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-(2-methylprop-2-enyl)piperidin-4-amine has a molecular weight of 300.45 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-(2-methylprop-2-enyl)piperidin-4-amine is sourced from PubChem (CID 119124263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).