1-(cyclohexa-1,5-dien-1-ylmethyl)-N-[(E)-1-(2-methoxyphenyl)prop-1-enyl]-N-methylpiperidin-4-amine

C23H32N2O — CID 143660053

IUPAC1-(cyclohexa-1,5-dien-1-ylmethyl)-N-[(E)-1-(2-methoxyphenyl)prop-1-enyl]-N-methylpiperidin-4-amine
SMILESC/C=C(\c1ccccc1OC)N(C)C1CCN(CC2=CCCC=C2)CC1
InChIInChI=1S/C23H32N2O/c1-4-22(21-12-8-9-13-23(21)26-3)24(2)20-14-16-25(17-15-20)18-19-10-6-5-7-11-19/h4,6,8-13,20H,5,7,14-18H2,1-3H3/b22-4+
InChIKeyIDIAMMBIPRFVGD-LKNXVUQUSA-N
MW352.52 g/mol
LogP4.73
Rot. Bonds6

About 1-(cyclohexa-1,5-dien-1-ylmethyl)-N-[(E)-1-(2-methoxyphenyl)prop-1-enyl]-N-methylpiperidin-4-amine

1-(cyclohexa-1,5-dien-1-ylmethyl)-N-[(E)-1-(2-methoxyphenyl)prop-1-enyl]-N-methylpiperidin-4-amine (PubChem CID 143660053) has the molecular formula C23H32N2O and a molecular weight of 352.52 g/mol. Its IUPAC name is 1-(cyclohexa-1,5-dien-1-ylmethyl)-N-[(E)-1-(2-methoxyphenyl)prop-1-enyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(cyclohexa-1,5-dien-1-ylmethyl)-N-[(E)-1-(2-methoxyphenyl)prop-1-enyl]-N-methylpiperidin-4-amine
PubChem CID143660053
Molecular FormulaC23H32N2O
Molecular Weight352.52 g/mol
Exact Mass352.25
IUPAC Name1-(cyclohexa-1,5-dien-1-ylmethyl)-N-[(E)-1-(2-methoxyphenyl)prop-1-enyl]-N-methylpiperidin-4-amine
SMILESC/C=C(\c1ccccc1OC)N(C)C1CCN(CC2=CCCC=C2)CC1
InChIInChI=1S/C23H32N2O/c1-4-22(21-12-8-9-13-23(21)26-3)24(2)20-14-16-25(17-15-20)18-19-10-6-5-7-11-19/h4,6,8-13,20H,5,7,14-18H2,1-3H3/b22-4+
InChIKeyIDIAMMBIPRFVGD-LKNXVUQUSA-N
XLogP4.73
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(cyclohexa-1,5-dien-1-ylmethyl)-N-[(E)-1-(2-methoxyphenyl)prop-1-enyl]-N-methylpiperidin-4-amine with MolForge

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Related Compounds

5-[[4-(dimethylamino)piperidin-1-yl]methyl]-2-methoxybenzenecarbothioamide
CID 65339067
N-(4-fluorophenyl)-2-methoxy-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 46048053
2-methoxy-N-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95303783
2-methoxy-N-methyl-N-piperidin-4-ylbenzamide
CID 43602173
2-cyclobutyloxy-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylbenzamide
CID 86970774
(4R)-1-[(2-methoxyphenyl)methyl]-N-methyl-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 129476025
1-[(2-methoxyphenyl)methyl]piperidin-4-amine
CID 70277411
4-chloro-1-[(2-methoxyphenyl)methyl]piperidine
CID 63389508
N-(1-ethylpiperidin-4-yl)-2-hydroxy-N-methylbenzamide
CID 55002980
N-benzyl-1-[(4-methoxyphenyl)methyl]-N-methylpiperidin-4-amine;oxalic acid
CID 2910855
(2-methoxyphenyl)-[(3S)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]methanone
CID 129477579
N-(1-benzylpiperidin-4-yl)-N-methylcarbamoyl chloride
CID 82379735

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexa-1,5-dien-1-ylmethyl)-N-[(E)-1-(2-methoxyphenyl)prop-1-enyl]-N-methylpiperidin-4-amine?
The IUPAC name of 1-(cyclohexa-1,5-dien-1-ylmethyl)-N-[(E)-1-(2-methoxyphenyl)prop-1-enyl]-N-methylpiperidin-4-amine (CID 143660053) is 1-(cyclohexa-1,5-dien-1-ylmethyl)-N-[(E)-1-(2-methoxyphenyl)prop-1-enyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-(cyclohexa-1,5-dien-1-ylmethyl)-N-[(E)-1-(2-methoxyphenyl)prop-1-enyl]-N-methylpiperidin-4-amine?
The canonical SMILES for 1-(cyclohexa-1,5-dien-1-ylmethyl)-N-[(E)-1-(2-methoxyphenyl)prop-1-enyl]-N-methylpiperidin-4-amine is C/C=C(\c1ccccc1OC)N(C)C1CCN(CC2=CCCC=C2)CC1.
What is the InChIKey of 1-(cyclohexa-1,5-dien-1-ylmethyl)-N-[(E)-1-(2-methoxyphenyl)prop-1-enyl]-N-methylpiperidin-4-amine?
The InChIKey is IDIAMMBIPRFVGD-LKNXVUQUSA-N. The full InChI is InChI=1S/C23H32N2O/c1-4-22(21-12-8-9-13-23(21)26-3)24(2)20-14-16-25(17-15-20)18-19-10-6-5-7-11-19/h4,6,8-13,20H,5,7,14-18H2,1-3H3/b22-4+.
What are the key properties of 1-(cyclohexa-1,5-dien-1-ylmethyl)-N-[(E)-1-(2-methoxyphenyl)prop-1-enyl]-N-methylpiperidin-4-amine?
1-(cyclohexa-1,5-dien-1-ylmethyl)-N-[(E)-1-(2-methoxyphenyl)prop-1-enyl]-N-methylpiperidin-4-amine has a molecular weight of 352.52 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexa-1,5-dien-1-ylmethyl)-N-[(E)-1-(2-methoxyphenyl)prop-1-enyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 143660053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).